flexynesis_plot: flexynesis

annotate flexynesis_plot.py @ 3:52b6f2ac38c7 draft default tip

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad

author	bgruening
date	Wed, 23 Jul 2025 07:49:52 +0000
parents	3c5d82bf6e8a
children

rev	line source
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1 #!/usr/bin/env python
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	2 """Generate plots using flexynesis
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	3 This script generates dimensionality reduction plots, Kaplan-Meier survival curves,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	4 and Cox proportional hazards models from data processed by flexynesis."""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	5
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	6 import argparse
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	7 import os
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	8 from pathlib import Path
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	9
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	10 import matplotlib.pyplot as plt
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	11 import numpy as np
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	12 import pandas as pd
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	13 import seaborn as sns
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	14 from flexynesis import (
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	15 build_cox_model,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	16 plot_dim_reduced,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	17 plot_hazard_ratios,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	18 plot_kaplan_meier_curves,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	19 plot_pr_curves,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	20 plot_roc_curves,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	21 plot_scatter
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	22 )
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	23 from scipy.stats import kruskal, mannwhitneyu
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	24
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	25
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	26 def load_embeddings(embeddings_path):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	27 """Load embeddings from a file"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	28 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	29 # Determine file extension
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	30 file_ext = Path(embeddings_path).suffix.lower()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	31
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	32 if file_ext == '.csv':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	33 df = pd.read_csv(embeddings_path, index_col=0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	34 elif file_ext in ['.tsv', '.txt', '.tab', '.tabular']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	35 df = pd.read_csv(embeddings_path, sep='\t', index_col=0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	36 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	37 raise ValueError(f"Unsupported file extension: {file_ext}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	38
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	39 return df, df.index.tolist()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	40
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	41 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	42 raise ValueError(f"Error loading embeddings from {embeddings_path}: {e}") from e
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	43
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	44
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	45 def load_labels(labels_input):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	46 """Load predicted labels from flexynesis"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	47 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	48 # Determine file extension
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	49 file_ext = Path(labels_input).suffix.lower()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	50
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	51 if file_ext == '.csv':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	52 df = pd.read_csv(labels_input)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	53 elif file_ext in ['.tsv', '.txt', '.tab', '.tabular']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	54 df = pd.read_csv(labels_input, sep='\t')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	55
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	56 print(f"available columns: {df.columns.tolist()}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	57 return df
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	58
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	59 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	60 raise ValueError(f"Error loading labels from {labels_input}: {e}") from e
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	61
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	62
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	63 def load_omics(omics_path):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	64 """Load omics data from a file. First column should be features"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	65 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	66 # Determine file extension
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	67 file_ext = Path(omics_path).suffix.lower()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	68
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	69 if file_ext == '.csv':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	70 df = pd.read_csv(omics_path, index_col=0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	71 elif file_ext in ['.tsv', '.txt', '.tab', '.tabular']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	72 df = pd.read_csv(omics_path, sep='\t', index_col=0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	73 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	74 raise ValueError(f"Unsupported file extension: {file_ext}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	75 return df
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	76
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	77 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	78 raise ValueError(f"Error loading omics data from {omics_path}: {e}") from e
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	79
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	80
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	81 def match_samples_to_embeddings(sample_names, labels):
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	82 """Filter label data to match sample names in the embeddings"""
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	83 # Create a DataFrame from sample_names to preserve order
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	84 sample_df = pd.DataFrame({'sample_names': sample_names})
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	85
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	86 # left_join
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	87 first_column = labels.columns[0]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	88 df_matched = sample_df.merge(labels, left_on='sample_names', right_on=first_column, how='left')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	89
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	90 # remove sample_names to keep the initial structure
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	91 df_matched = df_matched.drop('sample_names', axis=1)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	92 return df_matched
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	93
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	94
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	95 def detect_color_type(labels_series):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	96 """Auto-detect whether target variables should be treated as categorical or numerical"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	97 # Remove NaN
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	98 clean_labels = labels_series.dropna()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	99
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	100 if clean_labels.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	101 return 'categorical' # default output if no labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	102
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	103 # Check if all values can be converted to numbers
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	104 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	105 numeric_labels = pd.to_numeric(clean_labels, errors='coerce')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	106
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	107 # If conversion failed -> categorical
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	108 if numeric_labels.isna().any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	109 return 'categorical'
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	110
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	111 # Check number of unique values
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	112 unique_count = len(clean_labels.unique())
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	113 total_count = len(clean_labels)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	114
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	115 # If few unique values relative to total -> categorical
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	116 # Threshold: if unique values < 10 OR unique/total < 0.1
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	117 if unique_count < 10 or (unique_count / total_count) < 0.1:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	118 return 'categorical'
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	119 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	120 return 'numerical'
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	121
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	122 except Exception:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	123 return 'categorical'
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	124
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	125
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	126 def plot_label_concordance_heatmap(labels1, labels2, figsize=(12, 10)):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	127 """
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	128 Plot a heatmap reflecting the concordance between two sets of labels using pandas crosstab.
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	129
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	130 Parameters:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	131 - labels1: The first set of labels.
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	132 - labels2: The second set of labels.
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	133 """
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	134 # Compute the cross-tabulation
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	135 ct = pd.crosstab(pd.Series(labels1, name='Labels Set 1'), pd.Series(labels2, name='Labels Set 2'))
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	136 # Normalize the cross-tabulation matrix column-wise
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	137 ct_normalized = ct.div(ct.sum(axis=1), axis=0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	138
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	139 # Plot the heatmap
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	140 plt.figure(figsize=figsize)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	141 sns.heatmap(ct_normalized, annot=True, cmap='viridis', linewidths=.5) # col_cluster=False)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	142 plt.title('Concordance between label groups')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	143
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	144 return plt.gcf()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	145
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	146
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	147 def plot_boxplot(categorical_x, numerical_y, title_x='Categories', title_y='Values', figsize=(10, 6), jittersize=4):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	148 """
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	149 Create a boxplot with to visualize the distribution of predicted probabilities across different categories.
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	150 the x axis represents the true labels, and the y axis represents the predicted probabilities for specific categories.
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	151 """
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	152 df = pd.DataFrame({title_x: categorical_x, title_y: numerical_y})
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	153
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	154 # Compute p-value
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	155 groups = df[title_x].unique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	156 if len(groups) == 2:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	157 group1 = df[df[title_x] == groups[0]][title_y]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	158 group2 = df[df[title_x] == groups[1]][title_y]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	159 stat, p = mannwhitneyu(group1, group2, alternative='two-sided')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	160 test_name = "Mann-Whitney U"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	161 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	162 group_data = [df[df[title_x] == group][title_y] for group in groups]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	163 stat, p = kruskal(*group_data)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	164 test_name = "Kruskal-Wallis"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	165
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	166 # Create a boxplot with jittered points
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	167 plt.figure(figsize=figsize)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	168 sns.boxplot(x=title_x, y=title_y, hue=title_x, data=df, palette='Set2', legend=False, fill=False)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	169 sns.stripplot(x=title_x, y=title_y, data=df, color='black', size=jittersize, jitter=True, dodge=True, alpha=0.4)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	170
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	171 # Labels and p-value annotation
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	172 plt.xlabel(title_x)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	173 plt.ylabel(title_y)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	174 plt.text(
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	175 x=-0.4,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	176 y=plt.ylim()[1],
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	177 s=f'{test_name} p = {p:.3e}',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	178 verticalalignment='top',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	179 horizontalalignment='left',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	180 fontsize=12,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	181 bbox=dict(boxstyle='round,pad=0.3', facecolor='white', edgecolor='gray')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	182 )
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	183
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	184 plt.tight_layout()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	185 return plt.gcf()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	186
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	187
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	188 def generate_dimred_plots(embeddings, matched_labels, args, output_dir, output_name_base):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	189 """Generate dimensionality reduction plots"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	190
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	191 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	192 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	193 is_flexynesis_format = all(col in matched_labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	194
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	195 if not args.color:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	196 if is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	197 print("Detected flexynesis labels format")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	198 print(f"Generating {args.method.upper()} plots for known and predicted labels...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	199 else:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	200 print("Labels are not in flexynesis format (Custom labels), please specify a color variable with --color")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	201
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	202 # Parse target values from comma-separated string
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	203 if args.target_value:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	204 target_values = [val.strip() for val in args.target_value.split(',')]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	205 else:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	206 # If no target values specified, use all unique variables
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	207 target_values = matched_labels['variable'].unique().tolist()
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	208
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	209 print(f"Generating {args.method.upper()} plots for {len(target_values)} target variable(s): {', '.join(target_values)}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	210
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	211 # Check variables
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	212 available_vars = matched_labels['variable'].unique()
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	213 missing_vars = [var for var in target_values if var not in available_vars]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	214
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	215 if missing_vars:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	216 print(f"Warning: The following target variables were not found in the data: {', '.join(missing_vars)}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	217 print(f"Available variables: {', '.join(available_vars)}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	218
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	219 # Filter to only process available variables
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	220 valid_vars = [var for var in target_values if var in available_vars]
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	221
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	222 if not valid_vars:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	223 raise ValueError(f"None of the specified target variables were found in the data. Available: {', '.join(available_vars)}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	224
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	225 # Generate plots for each valid target variable
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	226 for var in valid_vars:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	227 print(f"\nPlotting variable: {var}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	228
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	229 # Filter matched labels for current variable
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	230 var_labels = matched_labels[matched_labels['variable'] == var].copy()
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	231 var_labels = var_labels.drop_duplicates(subset='sample_id')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	232
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	233 if var_labels.empty:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	234 print(f"Warning: No data found for variable '{var}', skipping...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	235 continue
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	236
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	237 # Auto-detect color type
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	238 known_color_type = detect_color_type(var_labels['known_label'])
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	239 predicted_color_type = detect_color_type(var_labels['predicted_label'])
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	240
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	241 print(f" Auto-detected color types - Known: {known_color_type}, Predicted: {predicted_color_type}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	242
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	243 try:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	244 # Plot 1: Known labels
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	245 print(f" Creating known labels plot for {var}...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	246 fig_known = plot_dim_reduced(
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	247 matrix=embeddings,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	248 labels=var_labels['known_label'],
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	249 method=args.method,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	250 color_type=known_color_type
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	251 )
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	252
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	253 output_path_known = output_dir / f"{output_name_base}_{var}_known.{args.format}"
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	254 print(f" Saving known labels plot to: {output_path_known.name}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	255 fig_known.save(output_path_known, dpi=args.dpi, bbox_inches='tight')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	256
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	257 # Plot 2: Predicted labels
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	258 print(f" Creating predicted labels plot for {var}...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	259 fig_predicted = plot_dim_reduced(
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	260 matrix=embeddings,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	261 labels=var_labels['predicted_label'],
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	262 method=args.method,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	263 color_type=predicted_color_type
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	264 )
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	265
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	266 output_path_predicted = output_dir / f"{output_name_base}_{var}_predicted.{args.format}"
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	267 print(f" Saving predicted labels plot to: {output_path_predicted.name}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	268 fig_predicted.save(output_path_predicted, dpi=args.dpi, bbox_inches='tight')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	269
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	270 print(f" ✓ Successfully created plots for variable '{var}'")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	271
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	272 except Exception as e:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	273 print(f" ✗ Error creating plots for variable '{var}': {e}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	274 continue
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	275
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	276 print(f"\nDimensionality reduction plots completed for {len(valid_vars)} variable(s)!")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	277
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	278 else:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	279 # check if the color variable exists in matched_labels
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	280 if args.color not in matched_labels.columns:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	281 raise ValueError(f"Color variable '{args.color}' not found in matched labels. Available columns: {matched_labels.columns.tolist()}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	282
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	283 # Auto-detect color type
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	284 color_type = detect_color_type(matched_labels[args.color])
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	285
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	286 print(f" Auto-detected color type: {color_type}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	287
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	288 # Plot: Specified color column
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	289 print(f" Creating plot for {args.color}...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	290 fig = plot_dim_reduced(
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	291 matrix=embeddings,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	292 labels=matched_labels[args.color],
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	293 method=args.method,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	294 color_type=color_type
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	295 )
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	296
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	297 output_path = output_dir / f"{output_name_base}_{args.color}.{args.format}"
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	298 print(f" Saving plot to: {output_path.name}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	299 fig.save(output_path, dpi=args.dpi, bbox_inches='tight')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	300
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	301 print(f" ✓ Successfully created plot for variable '{args.color}'")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	302
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	303
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	304 def generate_km_plots(survival_data, labels, args, output_dir, output_name_base):
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	305 """Generate Kaplan-Meier plots"""
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	306
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	307 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	308 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	309 is_flexynesis_format = all(col in labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	310
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	311 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	312 raise ValueError(f"Labels are not in flexynesis format (Custom labels). Please provide a valid label file with the required columns, {required_cols}.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	313
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	314 print("Generating Kaplan-Meier curves of risk subtypes...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	315
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	316 if survival_data.columns[0] != 'sample_id':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	317 survival_data = survival_data.rename(columns={survival_data.columns[0]: 'sample_id'})
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	318
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	319 # Check if the event column exists
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	320 if args.surv_event_var not in survival_data.columns:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	321 raise ValueError(f"Column '{args.surv_event_var}' not found in survival data")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	322
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	323 labels = labels[(labels['variable'] == args.surv_event_var)]
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	324
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	325 # Merge survival data with labels
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	326 df_deceased = pd.merge(survival_data, labels, on='sample_id', how='inner')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	327 df_deceased = df_deceased.dropna(subset=[args.surv_time_var, args.surv_event_var])
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	328
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	329 if df_deceased.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	330 raise ValueError("No matching samples found after merging survival and label data.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	331
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	332 # Get risk scores
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	333 risk_scores = df_deceased['predicted_label'].values
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	334
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	335 # Compute groups (e.g., median split)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	336 quantiles = np.quantile(risk_scores, [0.5])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	337 groups = np.digitize(risk_scores, quantiles)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	338 group_labels = ['low_risk' if g == 0 else 'high_risk' for g in groups]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	339
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	340 fig_known = plot_kaplan_meier_curves(
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	341 durations=df_deceased[args.surv_time_var],
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	342 events=df_deceased[args.surv_event_var],
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	343 categorical_variable=group_labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	344 )
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	345
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	346 output_path_known = output_dir / f"{output_name_base}_km_risk_subtypes.{args.format}"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	347 print(f"Saving Kaplan-Meier plot to: {output_path_known.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	348 fig_known.save(output_path_known, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	349
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	350 print("Kaplan-Meier plot saved successfully!")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	351
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	352
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	353 def generate_cox_plots(important_features, clinical_train, clinical_test, omics_train, omics_test, args, output_dir, output_name_base):
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	354 """Generate Cox proportional hazards plots"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	355 print("Generating Cox proportional hazards analysis...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	356
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	357 # Check if this is the specific format with target_variable, importance
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	358 required_cols = ['target_variable', 'layer', 'importance']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	359 is_flexynesis_format = all(col in important_features.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	360
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	361 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	362 raise ValueError(f"Labels are not in flexynesis format (Custom labels). Please provide a valid important_features file with the required columns, {required_cols}.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	363
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	364 # Parse clinical variables
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	365 clinical_vars = []
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	366 if args.clinical_variables:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	367 clinical_vars = [var.strip() for var in args.clinical_variables.split(',')]
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	368
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	369 # Validate that survival variables are included
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	370 required_vars = [args.surv_time_var, args.surv_event_var]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	371 for var in required_vars:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	372 if var not in clinical_vars:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	373 clinical_vars.append(var)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	374
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	375 print(f"Using clinical variables: {', '.join(clinical_vars)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	376
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	377 # filter datasets for clinical variables
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	378 if all(var in clinical_train.columns and var in clinical_test.columns for var in clinical_vars):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	379 df_clin_train = clinical_train[clinical_vars]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	380 df_clin_test = clinical_test[clinical_vars]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	381 # Drop rows with NaN in clinical variables
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	382 df_clin_train = df_clin_train.dropna(subset=clinical_vars)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	383 df_clin_test = df_clin_test.dropna(subset=clinical_vars)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	384 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	385 raise ValueError(f"Not all clinical variables found in datasets. Available in train dataset: {clinical_train.columns.tolist()}, Available in test dataset: {clinical_test.columns.tolist()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	386
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	387 # Combine
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	388 df_clin = pd.concat([df_clin_train, df_clin_test], axis=0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	389
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	390 # Get top survival markers
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	391 print(f"Extracting top {args.top_features} important features for {args.surv_event_var}...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	392 try:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	393 print(f"Loading {args.top_features} important features from: {args.important_features}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	394 imp_features = load_labels(args.important_features)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	395 imp_features = imp_features[imp_features['target_variable'] == args.surv_event_var]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	396 if args.layer not in imp_features['layer'].unique():
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	397 print(f"Available class labels: {imp_features['layer'].unique()}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	398 raise ValueError(f"Class label '{args.layer}' not found in important features data: {args.important_features}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	399 imp_features = imp_features[imp_features['layer'] == args.layer]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	400 if imp_features.empty:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	401 raise ValueError(f"No important features found for target variable '{args.surv_event_var}' in {args.important_features}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	402 imp_features = imp_features.sort_values(by='importance', ascending=False)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	403
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	404 if len(imp_features) < args.top_features:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	405 raise ValueError(f"Requested top {args.top_features} features, but only {len(imp_features)} available in {args.important_features}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	406
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	407 imp = imp_features['name'].unique().tolist()[0:args.top_features]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	408
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	409 print(f"Top features: {', '.join(imp)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	410 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	411 raise ValueError(f"Error getting important features: {e}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	412
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	413 # Extract feature data from omics datasets
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	414 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	415 omics_test = omics_test.loc[omics_test.index.isin(imp)]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	416 omics_train = omics_train.loc[omics_train.index.isin(imp)]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	417 # Drop rows with NaN in omics datasets
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	418 omics_test = omics_test.dropna(subset=omics_test.columns)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	419 omics_train = omics_train.dropna(subset=omics_train.columns)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	420
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	421 df_imp = pd.concat([omics_train, omics_test], axis=1)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	422 df_imp = df_imp.T # Transpose to have samples as rows
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	423
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	424 print(f"Feature data shape: {df_imp.shape}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	425 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	426 raise ValueError(f"Error extracting feature subset: {e}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	427
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	428 # Combine markers with clinical variables
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	429 df = pd.merge(df_imp, df_clin, left_index=True, right_index=True)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	430 print(f"Combined data shape: {df.shape}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	431
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	432 # Remove samples without survival endpoints
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	433 initial_samples = len(df)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	434 df = df[df[args.surv_event_var].notna()]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	435 final_samples = len(df)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	436 print(f"Removed {initial_samples - final_samples} samples without survival data")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	437
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	438 if df.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	439 raise ValueError("No samples remain after filtering for survival data")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	440
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	441 # Build Cox model
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	442 print(f"Building Cox model with time variable: {args.surv_time_var}, event variable: {args.surv_event_var}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	443 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	444 coxm = build_cox_model(df,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	445 duration_col=args.surv_time_var,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	446 event_col=args.surv_event_var,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	447 crossval=args.crossval,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	448 n_splits=args.n_splits,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	449 random_state=args.random_state)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	450 print("Cox model built successfully")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	451 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	452 raise ValueError(f"Error building Cox model: {e}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	453
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	454 # Generate hazard ratios plot
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	455 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	456 print("Generating hazard ratios plot...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	457 fig = plot_hazard_ratios(coxm)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	458
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	459 output_path = output_dir / f"{output_name_base}_hazard_ratios.{args.format}"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	460 print(f"Saving hazard ratios plot to: {output_path.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	461 fig.save(output_path, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	462
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	463 print("Cox proportional hazards analysis completed successfully!")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	464
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	465 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	466 raise ValueError(f"Error generating hazard ratios plot: {e}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	467
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	468
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	469 def generate_plot_scatter(labels, args, output_dir, output_name_base):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	470 """Generate scatter plot of known vs predicted labels"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	471 print("Generating scatter plots of known vs predicted labels...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	472
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	473 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	474 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	475 is_flexynesis_format = all(col in labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	476
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	477 if is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	478 # Parse target values from comma-separated string
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	479 if args.target_value:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	480 target_values = [val.strip() for val in args.target_value.split(',')]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	481 else:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	482 # If no target values specified, use all unique variables
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	483 target_values = labels['variable'].unique().tolist()
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	484
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	485 print(f"Processing target values: {target_values}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	486
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	487 successful_plots = 0
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	488 skipped_plots = 0
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	489
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	490 for target_value in target_values:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	491 print(f"\nProcessing target value: '{target_value}'")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	492
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	493 # Filter labels for the current target value
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	494 target_labels = labels[labels['variable'] == target_value]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	495
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	496 if target_labels.empty:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	497 print(f" Warning: No data found for target value '{target_value}' - skipping")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	498 skipped_plots += 1
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	499 continue
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	500
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	501 # Check if labels are numeric and convert
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	502 true_values = pd.to_numeric(target_labels['known_label'], errors='coerce')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	503 predicted_values = pd.to_numeric(target_labels['predicted_label'], errors='coerce')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	504
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	505 if true_values.isna().all() or predicted_values.isna().all():
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	506 print(f"No valid numeric values found for known or predicted labels in '{target_value}'")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	507 skipped_plots += 1
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	508 continue
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	509
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	510 try:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	511 print(f" Generating scatter plot for '{target_value}'...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	512 fig = plot_scatter(true_values, predicted_values)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	513
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	514 # Create output filename with target value
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	515 safe_target_name = target_value.replace('/', '_').replace('\\', '_').replace(' ', '_')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	516 output_filename = f"{output_name_base}_{safe_target_name}.{args.format}"
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	517
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	518 output_path = output_dir / output_filename
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	519 print(f" Saving scatter plot to: {output_path.absolute()}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	520 fig.save(output_path, dpi=args.dpi, bbox_inches='tight')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	521
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	522 successful_plots += 1
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	523 print(f" Scatter plot for '{target_value}' generated successfully!")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	524
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	525 except Exception as e:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	526 print(f" Error generating plot for '{target_value}': {str(e)}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	527 skipped_plots += 1
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	528
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	529 # Summary
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	530 print(" Summary:")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	531 print(f" Successfully generated: {successful_plots} plots")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	532 print(f" Skipped: {skipped_plots} plots")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	533
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	534 if successful_plots == 0:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	535 raise ValueError("No scatter plots could be generated. Check your data and target values.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	536
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	537 print("Scatter plot generation completed!")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	538
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	539 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	540 print("Labels are not in flexynesis format (Custom labels)")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	541
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	542 if not args.true_label or not args.predicted_label:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	543 raise ValueError("For custom labels, please specify --true_label and --predicted_label arguments.")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	544
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	545 # Check if labels are numeric and convert
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	546 true_values = pd.to_numeric(labels[args.true_label], errors='coerce')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	547 predicted_values = pd.to_numeric(labels[args.predicted_label], errors='coerce')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	548
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	549 if true_values.isna().all() or predicted_values.isna().all():
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	550 print("No valid numeric values found for known or predicted labels")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	551
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	552 try:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	553 print(" Generating scatter plot...")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	554 fig = plot_scatter(true_values, predicted_values)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	555
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	556 # Create output filename with target value
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	557 output_filename = f"{output_name_base}.{args.format}"
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	558
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	559 output_path = output_dir / output_filename
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	560 print(f" Saving scatter plot to: {output_path.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	561 fig.save(output_path, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	562
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	563 except Exception as e:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	564 print(f" Error generating plot: {str(e)}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	565
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	566 print("Scatter plot generation completed!")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	567
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	568
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	569 def generate_label_concordance_heatmap(labels, args, output_dir, output_name_base):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	570 """Generate label concordance heatmap"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	571 print("Generating label concordance heatmaps...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	572
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	573 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	574 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	575 is_flexynesis_format = all(col in labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	576
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	577 if is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	578 # Parse target values from comma-separated string
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	579 if args.target_value:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	580 target_values = [val.strip() for val in args.target_value.split(',')]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	581 else:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	582 # If no target values specified, use all unique variables
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	583 target_values = labels['variable'].unique().tolist()
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	584
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	585 print(f"Processing target values: {target_values}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	586
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	587 for target_value in target_values:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	588 print(f"\nProcessing target value: '{target_value}'")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	589
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	590 # Filter labels for the current target value
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	591 target_labels = labels[labels['variable'] == target_value]
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	592
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	593 if target_labels.empty:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	594 print(f" Warning: No data found for target value '{target_value}' - skipping")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	595 continue
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	596
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	597 true_values = target_labels['known_label'].tolist()
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	598 predicted_values = target_labels['predicted_label'].tolist()
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	599
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	600 try:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	601 print(f" Generating heatmap for '{target_value}'...")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	602 fig = plot_label_concordance_heatmap(true_values, predicted_values)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	603 plt.close(fig)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	604
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	605 # Create output filename with target value
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	606 safe_target_name = target_value.replace('/', '_').replace('\\', '_').replace(' ', '_')
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	607 output_filename = f"{output_name_base}_{safe_target_name}.{args.format}"
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	608
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	609 output_path = output_dir / output_filename
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	610 print(f" Saving heatmap to: {output_path.absolute()}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	611 fig.savefig(output_path, dpi=args.dpi, bbox_inches='tight')
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	612
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	613 except Exception as e:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	614 print(f" Error generating heatmap for '{target_value}': {str(e)}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	615 continue
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	616
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	617 print("Label concordance heatmap generated successfully!")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	618
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	619 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	620 print("Labels are not in flexynesis format (Custom labels)")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	621
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	622 if not args.true_label or not args.predicted_label:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	623 raise ValueError("For custom labels, please specify --true_label and --predicted_label arguments.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	624
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	625 true_values = labels[args.true_label].tolist()
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	626 predicted_values = labels[args.predicted_label].tolist()
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	627
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	628 try:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	629 print(" Generating heatmap for...")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	630 fig = plot_label_concordance_heatmap(true_values, predicted_values)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	631 plt.close(fig)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	632
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	633 # Create output filename with target value
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	634 output_filename = f"{output_name_base}.{args.format}"
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	635
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	636 output_path = output_dir / output_filename
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	637 print(f" Saving heatmap to: {output_path.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	638 fig.savefig(output_path, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	639
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	640 except Exception as e:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	641 print(f" Error generating heatmap': {str(e)}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	642
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	643 print("Label concordance heatmap generated successfully!")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	644
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	645
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	646 def generate_pr_curves(labels, args, output_dir, output_name_base):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	647 """Generate precision-recall curves"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	648 print("Generating precision-recall curves...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	649
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	650 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	651 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	652 is_flexynesis_format = all(col in labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	653
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	654 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	655 raise ValueError(f"Labels are not in flexynesis format (Custom labels). Please provide a valid label file with the required columns, {required_cols}.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	656
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	657 # Parse target values from comma-separated string
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	658 if args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	659 target_values = [val.strip() for val in args.target_value.split(',')]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	660 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	661 # If no target values specified, use all unique variables
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	662 target_values = labels['variable'].unique().tolist()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	663
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	664 print(f"Processing target values: {target_values}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	665
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	666 for target_value in target_values:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	667 print(f"\nProcessing target value: '{target_value}'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	668
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	669 # Filter labels for the current target value
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	670 target_labels = labels[labels['variable'] == target_value]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	671
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	672 # Check if this is a regression problem (no class probabilities)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	673 prob_columns = target_labels['class_label'].unique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	674 non_na_probs = target_labels['probability'].notna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	675
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	676 print(f" Class labels found: {list(prob_columns)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	677 print(f" Non-NaN probabilities: {non_na_probs}/{len(target_labels)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	678
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	679 # If most probabilities are NaN, this is likely a regression problem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	680 if non_na_probs < len(target_labels) * 0.1: # Less than 10% valid probabilities
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	681 print(" Detected regression problem - precision-recall curves not applicable")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	682 print(f" Skipping '{target_value}' (use regression evaluation metrics instead)")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	683 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	684
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	685 # Debug: Check data quality
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	686 total_rows = len(target_labels)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	687 missing_labels = target_labels['known_label'].isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	688 missing_probs = target_labels['probability'].isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	689 unique_samples = target_labels['sample_id'].nunique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	690 unique_classes = target_labels['class_label'].nunique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	691
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	692 print(f" Data summary: {total_rows} total rows, {unique_samples} unique samples, {unique_classes} unique classes")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	693 print(f" Missing data: {missing_labels} missing known_label, {missing_probs} missing probability")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	694
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	695 if missing_labels > 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	696 print(f" Warning: Found {missing_labels} missing known_label values")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	697 missing_samples = target_labels[target_labels['known_label'].isna()]['sample_id'].unique()[:5]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	698 print(f" Sample IDs with missing known_label: {list(missing_samples)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	699
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	700 # Remove rows with missing known_label
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	701 target_labels = target_labels.dropna(subset=['known_label'])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	702 if target_labels.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	703 print(f" Error: No valid known_label data remaining for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	704 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	705
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	706 # 1. Pivot to wide format
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	707 prob_df = target_labels.pivot(index='sample_id', columns='class_label', values='probability')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	708
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	709 print(f" After pivot: {prob_df.shape[0]} samples x {prob_df.shape[1]} classes")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	710 print(f" Class columns: {list(prob_df.columns)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	711
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	712 # Check for NaN values in probability data
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	713 nan_counts = prob_df.isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	714 if nan_counts.any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	715 print(f" NaN counts per class: {dict(nan_counts)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	716 print(f" Samples with any NaN: {prob_df.isna().any(axis=1).sum()}/{len(prob_df)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	717
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	718 # Drop only rows where ALL probabilities are NaN
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	719 all_nan_rows = prob_df.isna().all(axis=1)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	720 if all_nan_rows.any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	721 print(f" Dropping {all_nan_rows.sum()} samples with all NaN probabilities")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	722 prob_df = prob_df[~all_nan_rows]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	723
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	724 remaining_nans = prob_df.isna().sum().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	725 if remaining_nans > 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	726 print(f" Warning: {remaining_nans} individual NaN values remain - filling with 0")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	727 prob_df = prob_df.fillna(0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	728
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	729 if prob_df.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	730 print(f" Error: No valid probability data remaining for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	731 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	732
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	733 # 2. Get true labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	734 true_labels_df = target_labels.drop_duplicates('sample_id')[['sample_id', 'known_label']].set_index('sample_id')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	735
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	736 # 3. Align indices - only keep samples that exist in both datasets
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	737 common_indices = prob_df.index.intersection(true_labels_df.index)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	738 if len(common_indices) == 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	739 print(f" Error: No common sample_ids between probability and true label data for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	740 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	741
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	742 print(f" Found {len(common_indices)} samples with both probability and true label data")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	743
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	744 # Filter both datasets to common indices
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	745 prob_df_aligned = prob_df.loc[common_indices]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	746 y_true = true_labels_df.loc[common_indices]['known_label']
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	747
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	748 # 4. Final check for NaN values
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	749 if y_true.isna().any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	750 print(f" Error: True labels still contain NaN after alignment for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	751 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	752
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	753 if prob_df_aligned.isna().any().any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	754 print(f" Error: Probability data still contains NaN after alignment for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	755 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	756
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	757 # 5. Convert categorical labels to integer labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	758 # Create a mapping from class names to integers
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	759 class_names = list(prob_df_aligned.columns)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	760 class_to_int = {class_name: i for i, class_name in enumerate(class_names)}
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	761
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	762 print(f" Class mapping: {class_to_int}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	763
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	764 # Convert true labels to integers
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	765 y_true_np = y_true.map(class_to_int).to_numpy()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	766 y_probs_np = prob_df_aligned.to_numpy()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	767
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	768 print(f" Data shape: y_true={y_true_np.shape}, y_probs={y_probs_np.shape}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	769 print(f" Unique true labels (integers): {set(y_true_np)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	770 print(f" Class labels (columns): {class_names}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	771 print(f" Label distribution: {dict(zip(*np.unique(y_true_np, return_counts=True)))}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	772
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	773 # Check for any unmapped labels (will be NaN)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	774 if pd.isna(y_true_np).any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	775 print(" Error: Some true labels could not be mapped to class columns")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	776 unmapped_labels = set(y_true[y_true.map(class_to_int).isna()])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	777 print(f" Unmapped labels: {unmapped_labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	778 print(f" Available classes: {class_names}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	779 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	780
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	781 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	782 print(f" Generating precision-recall curve for '{target_value}'...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	783 fig = plot_pr_curves(y_true_np, y_probs_np)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	784
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	785 # Create output filename with target value
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	786 safe_target_name = target_value.replace('/', '_').replace('\\', '_').replace(' ', '_')
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	787 output_filename = f"{output_name_base}_{safe_target_name}.{args.format}"
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	788
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	789 output_path = output_dir / output_filename
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	790 print(f" Saving precision-recall curve to: {output_path.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	791 fig.save(output_path, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	792
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	793 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	794 print(f" Error generating precision-recall curve for '{target_value}': {str(e)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	795 print(f" Debug info - y_true type: {type(y_true_np)}, contains NaN: {pd.isna(y_true_np).any()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	796 print(f" Debug info - y_probs type: {type(y_probs_np)}, contains NaN: {pd.isna(y_probs_np).any()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	797 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	798
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	799 print("Precision-recall curves generated successfully!")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	800
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	801
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	802 def generate_roc_curves(labels, args, output_dir, output_name_base):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	803 """Generate ROC curves"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	804 print("Generating ROC curves...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	805
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	806 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	807 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	808 is_flexynesis_format = all(col in labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	809
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	810 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	811 raise ValueError(f"Labels are not in flexynesis format (Custom labels). Please provide a valid label file with the required columns, {required_cols}.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	812
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	813 # Parse target values from comma-separated string
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	814 if args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	815 target_values = [val.strip() for val in args.target_value.split(',')]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	816 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	817 # If no target values specified, use all unique variables
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	818 target_values = labels['variable'].unique().tolist()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	819
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	820 print(f"Processing target values: {target_values}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	821
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	822 for target_value in target_values:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	823 print(f"\nProcessing target value: '{target_value}'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	824
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	825 # Filter labels for the current target value
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	826 target_labels = labels[labels['variable'] == target_value]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	827
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	828 # Check if this is a regression problem (no class probabilities)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	829 prob_columns = target_labels['class_label'].unique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	830 non_na_probs = target_labels['probability'].notna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	831
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	832 print(f" Class labels found: {list(prob_columns)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	833 print(f" Non-NaN probabilities: {non_na_probs}/{len(target_labels)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	834
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	835 # If most probabilities are NaN, this is likely a regression problem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	836 if non_na_probs < len(target_labels) * 0.1: # Less than 10% valid probabilities
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	837 print(" Detected regression problem - ROC curves not applicable")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	838 print(f" Skipping '{target_value}' (use regression evaluation metrics instead)")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	839 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	840
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	841 # Debug: Check data quality
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	842 total_rows = len(target_labels)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	843 missing_labels = target_labels['known_label'].isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	844 missing_probs = target_labels['probability'].isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	845 unique_samples = target_labels['sample_id'].nunique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	846 unique_classes = target_labels['class_label'].nunique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	847
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	848 print(f" Data summary: {total_rows} total rows, {unique_samples} unique samples, {unique_classes} unique classes")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	849 print(f" Missing data: {missing_labels} missing known_label, {missing_probs} missing probability")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	850
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	851 if missing_labels > 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	852 print(f" Warning: Found {missing_labels} missing known_label values")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	853 missing_samples = target_labels[target_labels['known_label'].isna()]['sample_id'].unique()[:5]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	854 print(f" Sample IDs with missing known_label: {list(missing_samples)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	855
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	856 # Remove rows with missing known_label
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	857 target_labels = target_labels.dropna(subset=['known_label'])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	858 if target_labels.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	859 print(f" Error: No valid known_label data remaining for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	860 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	861
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	862 # 1. Pivot to wide format
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	863 prob_df = target_labels.pivot(index='sample_id', columns='class_label', values='probability')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	864
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	865 print(f" After pivot: {prob_df.shape[0]} samples x {prob_df.shape[1]} classes")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	866 print(f" Class columns: {list(prob_df.columns)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	867
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	868 # Check for NaN values in probability data
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	869 nan_counts = prob_df.isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	870 if nan_counts.any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	871 print(f" NaN counts per class: {dict(nan_counts)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	872 print(f" Samples with any NaN: {prob_df.isna().any(axis=1).sum()}/{len(prob_df)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	873
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	874 # Drop only rows where ALL probabilities are NaN
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	875 all_nan_rows = prob_df.isna().all(axis=1)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	876 if all_nan_rows.any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	877 print(f" Dropping {all_nan_rows.sum()} samples with all NaN probabilities")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	878 prob_df = prob_df[~all_nan_rows]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	879
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	880 remaining_nans = prob_df.isna().sum().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	881 if remaining_nans > 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	882 print(f" Warning: {remaining_nans} individual NaN values remain - filling with 0")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	883 prob_df = prob_df.fillna(0)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	884
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	885 if prob_df.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	886 print(f" Error: No valid probability data remaining for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	887 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	888
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	889 # 2. Get true labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	890 true_labels_df = target_labels.drop_duplicates('sample_id')[['sample_id', 'known_label']].set_index('sample_id')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	891
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	892 # 3. Align indices - only keep samples that exist in both datasets
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	893 common_indices = prob_df.index.intersection(true_labels_df.index)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	894 if len(common_indices) == 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	895 print(f" Error: No common sample_ids between probability and true label data for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	896 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	897
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	898 print(f" Found {len(common_indices)} samples with both probability and true label data")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	899
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	900 # Filter both datasets to common indices
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	901 prob_df_aligned = prob_df.loc[common_indices]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	902 y_true = true_labels_df.loc[common_indices]['known_label']
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	903
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	904 # 4. Final check for NaN values
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	905 if y_true.isna().any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	906 print(f" Error: True labels still contain NaN after alignment for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	907 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	908
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	909 if prob_df_aligned.isna().any().any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	910 print(f" Error: Probability data still contains NaN after alignment for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	911 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	912
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	913 # 5. Convert categorical labels to integer labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	914 # Create a mapping from class names to integers
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	915 class_names = list(prob_df_aligned.columns)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	916 class_to_int = {class_name: i for i, class_name in enumerate(class_names)}
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	917
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	918 print(f" Class mapping: {class_to_int}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	919
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	920 # Convert true labels to integers
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	921 y_true_np = y_true.map(class_to_int).to_numpy()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	922 y_probs_np = prob_df_aligned.to_numpy()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	923
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	924 print(f" Data shape: y_true={y_true_np.shape}, y_probs={y_probs_np.shape}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	925 print(f" Unique true labels (integers): {set(y_true_np)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	926 print(f" Class labels (columns): {class_names}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	927 print(f" Label distribution: {dict(zip(*np.unique(y_true_np, return_counts=True)))}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	928
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	929 # Check for any unmapped labels (will be NaN)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	930 if pd.isna(y_true_np).any():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	931 print(" Error: Some true labels could not be mapped to class columns")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	932 unmapped_labels = set(y_true[y_true.map(class_to_int).isna()])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	933 print(f" Unmapped labels: {unmapped_labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	934 print(f" Available classes: {class_names}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	935 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	936
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	937 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	938 print(f" Generating ROC curve for '{target_value}'...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	939 fig = plot_roc_curves(y_true_np, y_probs_np)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	940
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	941 # Create output filename with target value
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	942 safe_target_name = target_value.replace('/', '_').replace('\\', '_').replace(' ', '_')
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	943 output_filename = f"{output_name_base}_{safe_target_name}.{args.format}"
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	944
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	945 output_path = output_dir / output_filename
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	946 print(f" Saving ROC curve to: {output_path.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	947 fig.save(output_path, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	948
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	949 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	950 print(f" Error generating ROC curve for '{target_value}': {str(e)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	951 print(f" Debug info - y_true type: {type(y_true_np)}, contains NaN: {pd.isna(y_true_np).any()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	952 print(f" Debug info - y_probs type: {type(y_probs_np)}, contains NaN: {pd.isna(y_probs_np).any()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	953 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	954
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	955 print("ROC curves generated successfully!")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	956
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	957
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	958 def generate_box_plots(labels, args, output_dir, output_name_base):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	959 """Generate box plots for model predictions"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	960
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	961 # Check if this is the specific format with sample_id, known_label, predicted_label
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	962 required_cols = ['sample_id', 'variable', 'class_label', 'probability', 'known_label', 'predicted_label']
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	963 is_flexynesis_format = all(col in labels.columns for col in required_cols)
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	964
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	965 if not is_flexynesis_format:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	966 raise ValueError(f"Labels are not in flexynesis format (Custom labels). Please provide a valid label file with the required columns, {required_cols}.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	967
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	968 print("Generating box plots...")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	969
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	970 # Parse target values from comma-separated string
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	971 if args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	972 target_values = [val.strip() for val in args.target_value.split(',')]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	973 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	974 # If no target values specified, use all unique variables
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	975 target_values = labels['variable'].unique().tolist()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	976
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	977 print(f"Processing target values: {target_values}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	978
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	979 for target_value in target_values:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	980 print(f"\nProcessing target value: '{target_value}'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	981
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	982 # Filter labels for the current target value
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	983 target_labels = labels[labels['variable'] == target_value]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	984
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	985 if target_labels.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	986 print(f" Warning: No data found for target value '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	987 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	988
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	989 # Check if this is a classification problem (has probabilities)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	990 prob_columns = target_labels['class_label'].unique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	991 non_na_probs = target_labels['probability'].notna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	992
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	993 print(f" Class labels found: {list(prob_columns)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	994 print(f" Non-NaN probabilities: {non_na_probs}/{len(target_labels)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	995
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	996 # If most probabilities are NaN, this is likely a regression problem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	997 if non_na_probs < len(target_labels) * 0.1: # Less than 10% valid probabilities
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	998 print(" Detected regression problem - precision-recall curves not applicable")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	999 print(f" Skipping '{target_value}' (use regression evaluation metrics instead)")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1000 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1001
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1002 # Debug: Check data quality
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1003 total_rows = len(target_labels)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1004 missing_labels = target_labels['known_label'].isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1005 missing_probs = target_labels['probability'].isna().sum()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1006 unique_samples = target_labels['sample_id'].nunique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1007 unique_classes = target_labels['class_label'].nunique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1008
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1009 print(f" Data summary: {total_rows} total rows, {unique_samples} unique samples, {unique_classes} unique classes")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1010 print(f" Missing data: {missing_labels} missing known_label, {missing_probs} missing probability")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1011
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1012 if missing_labels > 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1013 print(f" Warning: Found {missing_labels} missing known_label values")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1014 missing_samples = target_labels[target_labels['known_label'].isna()]['sample_id'].unique()[:5]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1015 print(f" Sample IDs with missing known_label: {list(missing_samples)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1016
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1017 # Remove rows with missing known_label
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1018 target_labels = target_labels.dropna(subset=['known_label'])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1019 if target_labels.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1020 print(f" Error: No valid known_label data remaining for '{target_value}' - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1021 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1022
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1023 # Remove rows with missing data
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1024 clean_data = target_labels.dropna(subset=['known_label', 'probability'])
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1025
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1026 if clean_data.empty:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1027 print(" No valid data after cleaning - skipping")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1028 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1029
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1030 # Get unique classes
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1031 classes = clean_data['class_label'].unique()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1032
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1033 for class_label in classes:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1034 print(f" Generating box plot for class: {class_label}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1035
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1036 # Filter for current class
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1037 class_data = clean_data[clean_data['class_label'] == class_label]
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1038
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1039 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1040 # Create the box plot
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1041 fig = plot_boxplot(
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1042 categorical_x=class_data['known_label'],
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1043 numerical_y=class_data['probability'],
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1044 title_x='True Label',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1045 title_y=f'Predicted Probability ({class_label})',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1046 )
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1047
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1048 # Save the plot
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1049 safe_class_name = str(class_label).replace('/', '_').replace('\\', '_').replace(' ', '_').replace(':', '_')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1050 safe_target_name = target_value.replace('/', '_').replace('\\', '_').replace(' ', '_')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1051 output_filename = f"{output_name_base}_{safe_target_name}_{safe_class_name}.{args.format}"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1052 output_path = output_dir / output_filename
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1053
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1054 print(f" Saving box plot to: {output_path.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1055 fig.savefig(output_path, dpi=args.dpi, bbox_inches='tight')
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1056 plt.close(fig)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1057
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1058 except Exception as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1059 print(f" Error generating box plot for class '{class_label}': {str(e)}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1060 continue
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1061
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1062
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1063 def main():
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1064 """Main function to parse arguments and generate plots"""
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1065 parser = argparse.ArgumentParser(description="Generate plots using flexynesis")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1066
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1067 # Required arguments
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1068 parser.add_argument("--labels", type=str, required=False,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1069 help="Path to labels file generated by flexynesis")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1070
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1071 # Plot type
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1072 parser.add_argument("--plot_type", type=str, required=True,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1073 choices=['dimred', 'kaplan_meier', 'cox', 'scatter', 'concordance_heatmap', 'pr_curve', 'roc_curve', 'box_plot'],
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1074 help="Type of plot to generate: 'dimred' for dimensionality reduction, 'kaplan_meier' for survival analysis, 'cox' for Cox proportional hazards analysis, 'scatter' for scatter plots, 'concordance_heatmap' for label concordance heatmaps, 'pr_curve' for precision-recall curves, 'roc_curve' for ROC curves, or 'box_plot' for box plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1075
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1076 # Arguments for dimensionality reduction
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1077 parser.add_argument("--embeddings", type=str,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1078 help="Path to input data embeddings file (CSV or tabular format). Required for dimred plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1079 parser.add_argument("--method", type=str, default='pca', choices=['pca', 'umap'],
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1080 help="Transformation method ('pca' or 'umap'). Default is 'pca'. Used for dimred plots.")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1081 parser.add_argument("--color", type=str, default=None,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1082 help="User-defined color for the plot.")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1083
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1084 # Arguments for Kaplan-Meier
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1085 parser.add_argument("--survival_data", type=str,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1086 help="Path to survival data file with columns: duration and event. Required for kaplan_meier plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1087 parser.add_argument("--surv_time_var", type=str, required=False,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1088 help="Column name for survival time")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1089 parser.add_argument("--surv_event_var", type=str, required=False,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1090 help="Column name for survival event")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1091
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1092 # Arguments for Cox analysis
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1093 parser.add_argument("--important_features", type=str,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1094 help="Path to calculated feature importance file. Required for cox plots.")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1095 parser.add_argument("--clinical_train", type=str,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1096 help="Path to training dataset (pickle file). Required for cox plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1097 parser.add_argument("--clinical_test", type=str,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1098 help="Path to test dataset (pickle file). Required for cox plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1099 parser.add_argument("--omics_train", type=str, default=None,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1100 help="Path to training omics dataset. Optional for cox plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1101 parser.add_argument("--omics_test", type=str, default=None,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1102 help="Path to test omics dataset. Optional for cox plots.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1103 parser.add_argument("--clinical_variables", type=str,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1104 help="Comma-separated list of clinical variables to include in Cox model (e.g., 'AGE,SEX,HISTOLOGICAL_DIAGNOSIS,STUDY')")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1105 parser.add_argument("--top_features", type=int, default=20,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1106 help="Number of top important features to include in Cox model. Default is 5")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1107 parser.add_argument("--crossval", action='store_true',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1108 help="If True, performs K-fold cross-validation and returns average C-index. Default is False")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1109 parser.add_argument("--n_splits", type=int, default=5,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1110 help="Number of folds for cross-validation. Default is 5")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1111 parser.add_argument("--random_state", type=int, default=42,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1112 help="Random seed for reproducibility. Default is 42")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1113 parser.add_argument("--layer", type=str, default=None,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1114 help="Class label for filtering important features.")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1115
2 3c5d82bf6e8a planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 1afbaf45449e25238935e222f983da62392c067a bgruening parents: 0 diff changeset	1116 # Arguments for dimred, scatter plot, heatmap, PR curves, ROC curves, and box plots
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1117 parser.add_argument("--target_value", type=str, default=None,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1118 help="Target value for scatter plot.")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1119
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1120 # Arguments for scatter plots and concordance heatmaps
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1121 parser.add_argument("--true_label", type=str, default=None,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1122 help="Column name for true labels in scatter plots and concordance heatmaps.")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1123 parser.add_argument("--predicted_label", type=str, default=None,
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1124 help="Column name for predicted labels in scatter plots and concordance heatmaps.")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1125 # Common arguments
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1126 parser.add_argument("--output_dir", type=str, default='output',
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1127 help="Output directory. Default is 'output'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1128 parser.add_argument("--output_name", type=str, default=None,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1129 help="Output filename base")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1130 parser.add_argument("--format", type=str, default='jpg', choices=['png', 'pdf', 'svg', 'jpg'],
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1131 help="Output format for the plot. Default is 'jpg'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1132 parser.add_argument("--dpi", type=int, default=300,
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1133 help="DPI for the output image. Default is 300")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1134
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1135 args = parser.parse_args()
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1136
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1137 try:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1138 # validate plot type
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1139 if not args.plot_type:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1140 raise ValueError("Please specify a plot type using --plot_type")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1141 if args.plot_type not in ['dimred', 'kaplan_meier', 'cox', 'scatter', 'concordance_heatmap', 'pr_curve', 'roc_curve', 'box_plot']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1142 raise ValueError(f"Invalid plot type: {args.plot_type}. Must be one of: 'dimred', 'kaplan_meier', 'cox', 'scatter', 'concordance_heatmap', 'pr_curve', 'roc_curve', 'box_plot'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1143
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1144 # Validate plot type requirements
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1145 if args.plot_type in ['dimred']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1146 if not args.embeddings:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1147 raise ValueError("--embeddings is required when plot_type is 'dimred'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1148 if not os.path.isfile(args.embeddings):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1149 raise FileNotFoundError(f"embeddings file not found: {args.embeddings}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1150 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1151 raise ValueError("--labels is required for dimensionality reduction plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1152 if not args.method:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1153 raise ValueError("--method is required for dimensionality reduction plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1154
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1155 if args.plot_type in ['kaplan_meier']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1156 if not args.survival_data:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1157 raise ValueError("--survival_data is required when plot_type is 'kaplan_meier'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1158 if not os.path.isfile(args.survival_data):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1159 raise FileNotFoundError(f"Survival data file not found: {args.survival_data}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1160 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1161 raise ValueError("--labels is required for dimensionality reduction plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1162 if not args.method:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1163 raise ValueError("--method is required for dimensionality reduction plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1164 if not args.surv_time_var:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1165 raise ValueError("--surv_time_var is required for Kaplan-Meier plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1166 if not args.surv_event_var:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1167 raise ValueError("--surv_event_var is required for Kaplan-Meier plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1168
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1169 if args.plot_type in ['cox']:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1170 if not args.important_features:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1171 raise ValueError("--important_features is required when plot_type is 'cox'")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1172 if not os.path.isfile(args.important_features):
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1173 raise FileNotFoundError(f"Important features file not found: {args.important_features}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1174 if not args.clinical_train:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1175 raise ValueError("--clinical_train is required when plot_type is 'cox'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1176 if not os.path.isfile(args.clinical_train):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1177 raise FileNotFoundError(f"Training dataset file not found: {args.clinical_train}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1178 if not args.clinical_test:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1179 raise ValueError("--clinical_test is required when plot_type is 'cox'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1180 if not os.path.isfile(args.clinical_test):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1181 raise FileNotFoundError(f"Test dataset file not found: {args.clinical_test}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1182 if not args.omics_train:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1183 raise ValueError("--omics_train is required when plot_type is 'cox'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1184 if not os.path.isfile(args.omics_train):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1185 raise FileNotFoundError(f"Training omics dataset file not found: {args.omics_train}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1186 if not args.omics_test:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1187 raise ValueError("--omics_test is required when plot_type is 'cox'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1188 if not os.path.isfile(args.omics_test):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1189 raise FileNotFoundError(f"Test omics dataset file not found: {args.omics_test}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1190 if not args.surv_time_var:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1191 raise ValueError("--surv_time_var is required for Cox plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1192 if not args.surv_event_var:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1193 raise ValueError("--surv_event_var is required for Cox plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1194 if not args.clinical_variables:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1195 print("--clinical_variables is not set for Cox plots")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1196 if not isinstance(args.top_features, int) or args.top_features <= 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1197 raise ValueError("--top_features must be a positive integer")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1198 if not args.crossval:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1199 args.crossval = False
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1200 if not isinstance(args.n_splits, int) or args.n_splits <= 0:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1201 raise ValueError("--n_splits must be a positive integer")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1202 if not isinstance(args.random_state, int):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1203 raise ValueError("--random_state must be an integer")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1204 if not args.layer:
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1205 print("--layer is not specified, using all classes from labels")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1206
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1207 if args.plot_type in ['scatter']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1208 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1209 raise ValueError("--labels is required for scatter plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1210 if not args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1211 print("--target_value is not specified, using all unique variables from labels")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1212 if not os.path.isfile(args.labels):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1213 raise FileNotFoundError(f"Labels file not found: {args.labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1214
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1215 if args.plot_type in ['concordance_heatmap']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1216 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1217 raise ValueError("--labels is required for concordance heatmap")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1218 if not args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1219 print("--target_value is not specified, using all unique variables from labels")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1220 if not os.path.isfile(args.labels):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1221 raise FileNotFoundError(f"Labels file not found: {args.labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1222
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1223 if args.plot_type in ['pr_curve']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1224 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1225 raise ValueError("--labels is required for precision-recall curves")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1226 if not args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1227 print("--target_value is not specified, using all unique variables from labels")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1228 if not os.path.isfile(args.labels):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1229 raise FileNotFoundError(f"Labels file not found: {args.labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1230
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1231 if args.plot_type in ['roc_curve']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1232 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1233 raise ValueError("--labels is required for ROC curves")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1234 if not args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1235 print("--target_value is not specified, using all unique variables from labels")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1236 if not os.path.isfile(args.labels):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1237 raise FileNotFoundError(f"Labels file not found: {args.labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1238
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1239 if args.plot_type in ['box_plot']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1240 if not args.labels:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1241 raise ValueError("--labels is required for box plots")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1242 if not args.target_value:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1243 print("--target_value is not specified, using all unique variables from labels")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1244 if not os.path.isfile(args.labels):
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1245 raise FileNotFoundError(f"Labels file not found: {args.labels}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1246
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1247 # Validate other arguments
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1248 if args.method not in ['pca', 'umap']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1249 raise ValueError("Method must be 'pca' or 'umap'")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1250
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1251 # Create output directory
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1252 output_dir = Path(args.output_dir)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1253 output_dir.mkdir(parents=True, exist_ok=True)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1254 print(f"Output directory: {output_dir.absolute()}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1255
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1256 # Generate output filename base
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1257 if args.output_name:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1258 output_name_base = args.output_name
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1259 else:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1260 if args.plot_type == 'dimred':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1261 embeddings_name = Path(args.embeddings).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1262 output_name_base = f"{embeddings_name}_{args.method}"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1263 elif args.plot_type == 'kaplan_meier':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1264 survival_name = Path(args.survival_data).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1265 output_name_base = f"{survival_name}_km"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1266 elif args.plot_type == 'cox':
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1267 model_name = Path(args.important_features).stem
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1268 output_name_base = f"{model_name}_cox"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1269 elif args.plot_type == 'scatter':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1270 labels_name = Path(args.labels).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1271 output_name_base = f"{labels_name}_scatter"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1272 elif args.plot_type == 'concordance_heatmap':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1273 labels_name = Path(args.labels).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1274 output_name_base = f"{labels_name}_concordance"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1275 elif args.plot_type == 'pr_curve':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1276 labels_name = Path(args.labels).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1277 output_name_base = f"{labels_name}_pr_curves"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1278 elif args.plot_type == 'roc_curve':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1279 labels_name = Path(args.labels).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1280 output_name_base = f"{labels_name}_roc_curves"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1281 elif args.plot_type == 'box_plot':
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1282 labels_name = Path(args.labels).stem
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1283 output_name_base = f"{labels_name}_box_plot"
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1284
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1285 # Generate plots based on type
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1286 if args.plot_type in ['dimred']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1287 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1288 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1289 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1290 # Load embeddings data
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1291 print(f"Loading embeddings from: {args.embeddings}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1292 embeddings, sample_names = load_embeddings(args.embeddings)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1293 print(f"embeddings shape: {embeddings.shape}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1294
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1295 # Match samples to embeddings
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1296 matched_labels = match_samples_to_embeddings(sample_names, labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1297 print(f"Successfully matched {len(matched_labels)} samples for dimensionality reduction")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1298 print(f"Matched labels shape: {matched_labels.shape}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1299 print(f"Columns in matched labels: {matched_labels.columns.tolist()}")
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1300 generate_dimred_plots(embeddings, matched_labels, args, output_dir, output_name_base)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1301
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1302 elif args.plot_type in ['kaplan_meier']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1303 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1304 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1305 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1306 # Load survival data
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1307 print(f"Loading survival data from: {args.survival_data}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1308 survival_data = load_labels(args.survival_data)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1309 print(f"Survival data shape: {survival_data.shape}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1310
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1311 generate_km_plots(survival_data, labels, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1312
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1313 elif args.plot_type in ['cox']:
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1314 # Load important_features and datasets
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1315 print(f"Loading important features from: {args.important_features}")
52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1316 important_features = load_labels(args.important_features)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1317 print(f"Loading training dataset from: {args.clinical_train}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1318 clinical_train = load_omics(args.clinical_train)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1319 print(f"Loading test dataset from: {args.clinical_test}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1320 clinical_test = load_omics(args.clinical_test)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1321 print(f"Loading training omics dataset from: {args.omics_train}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1322 omics_train = load_omics(args.omics_train)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1323 print(f"Loading test omics dataset from: {args.omics_test}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1324 omics_test = load_omics(args.omics_test)
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1325
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1326 generate_cox_plots(important_features, clinical_train, clinical_test, omics_test, omics_train, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1327
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1328 elif args.plot_type in ['scatter']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1329 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1330 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1331 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1332
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1333 generate_plot_scatter(labels, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1334
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1335 elif args.plot_type in ['concordance_heatmap']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1336 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1337 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1338 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1339
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1340 generate_label_concordance_heatmap(labels, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1341
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1342 elif args.plot_type in ['pr_curve']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1343 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1344 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1345 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1346
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1347 generate_pr_curves(labels, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1348
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1349 elif args.plot_type in ['roc_curve']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1350 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1351 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1352 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1353
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1354 generate_roc_curves(labels, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1355
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1356 elif args.plot_type in ['box_plot']:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1357 # Load labels
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1358 print(f"Loading labels from: {args.labels}")
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1359 labels = load_labels(args.labels)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1360
3 52b6f2ac38c7 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 6b520305ec30e6dc37eba92c67a5368cea0fc5ad bgruening parents: 2 diff changeset	1361 generate_box_plots(labels, args, output_dir, output_name_base)
0 bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1362
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1363 print("All plots generated successfully!")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1364
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1365 except (FileNotFoundError, ValueError, pd.errors.ParserError) as e:
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1366 print(f"Error: {e}")
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1367 return 1
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1368
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1369 return 0
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1370
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1371
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1372 if __name__ == "__main__":
bb91bf19eb40 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587 bgruening parents: diff changeset	1373 exit(main())

Mercurial > repos > bgruening > flexynesis_plot

annotate flexynesis_plot.py @ 3:52b6f2ac38c7 draft default tip