Mercurial > repos > bgruening > sklearn_stacking_ensemble_models
annotate search_model_validation.py @ 8:6430b9b00d2f draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9e28f4466084464d38d3f8db2aff07974be4ba69"
| author | bgruening | 
|---|---|
| date | Wed, 11 Mar 2020 17:24:17 +0000 | 
| parents | 00819b7f2f55 | 
| children | b8c92e94ac1d | 
| rev | line source | 
|---|---|
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 1 import argparse | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 2 import collections | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 3 import imblearn | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 4 import joblib | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 5 import json | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 6 import numpy as np | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 7 import os | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 8 import pandas as pd | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 9 import pickle | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 10 import skrebate | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 11 import sys | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 12 import warnings | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 13 from scipy.io import mmread | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 14 from sklearn import (cluster, decomposition, feature_selection, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 15 kernel_approximation, model_selection, preprocessing) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 16 from sklearn.exceptions import FitFailedWarning | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 17 from sklearn.model_selection._validation import _score, cross_validate | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 18 from sklearn.model_selection import _search, _validation | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 19 from sklearn.pipeline import Pipeline | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 20 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 21 from galaxy_ml.utils import (SafeEval, get_cv, get_scoring, load_model, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 22 read_columns, try_get_attr, get_module, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 23 clean_params, get_main_estimator) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 24 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 25 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 26 _fit_and_score = try_get_attr('galaxy_ml.model_validations', '_fit_and_score') | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 27 setattr(_search, '_fit_and_score', _fit_and_score) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 28 setattr(_validation, '_fit_and_score', _fit_and_score) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 29 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 30 N_JOBS = int(os.environ.get('GALAXY_SLOTS', 1)) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 31 # handle disk cache | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 32 CACHE_DIR = os.path.join(os.getcwd(), 'cached') | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 33 del os | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 34 NON_SEARCHABLE = ('n_jobs', 'pre_dispatch', 'memory', '_path', | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 35 'nthread', 'callbacks') | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 36 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 37 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 38 def _eval_search_params(params_builder): | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 39 search_params = {} | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 40 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 41 for p in params_builder['param_set']: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 42 search_list = p['sp_list'].strip() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 43 if search_list == '': | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 44 continue | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 45 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 46 param_name = p['sp_name'] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 47 if param_name.lower().endswith(NON_SEARCHABLE): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 48 print("Warning: `%s` is not eligible for search and was " | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 49 "omitted!" % param_name) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 50 continue | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 51 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 52 if not search_list.startswith(':'): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 53 safe_eval = SafeEval(load_scipy=True, load_numpy=True) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 54 ev = safe_eval(search_list) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 55 search_params[param_name] = ev | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 56 else: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 57 # Have `:` before search list, asks for estimator evaluatio | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 58 safe_eval_es = SafeEval(load_estimators=True) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 59 search_list = search_list[1:].strip() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 60 # TODO maybe add regular express check | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 61 ev = safe_eval_es(search_list) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 62 preprocessings = ( | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 63 preprocessing.StandardScaler(), preprocessing.Binarizer(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 64 preprocessing.MaxAbsScaler(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 65 preprocessing.Normalizer(), preprocessing.MinMaxScaler(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 66 preprocessing.PolynomialFeatures(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 67 preprocessing.RobustScaler(), feature_selection.SelectKBest(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 68 feature_selection.GenericUnivariateSelect(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 69 feature_selection.SelectPercentile(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 70 feature_selection.SelectFpr(), feature_selection.SelectFdr(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 71 feature_selection.SelectFwe(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 72 feature_selection.VarianceThreshold(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 73 decomposition.FactorAnalysis(random_state=0), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 74 decomposition.FastICA(random_state=0), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 75 decomposition.IncrementalPCA(), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 76 decomposition.KernelPCA(random_state=0, n_jobs=N_JOBS), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 77 decomposition.LatentDirichletAllocation( | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 78 random_state=0, n_jobs=N_JOBS), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 79 decomposition.MiniBatchDictionaryLearning( | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 80 random_state=0, n_jobs=N_JOBS), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 81 decomposition.MiniBatchSparsePCA( | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 82 random_state=0, n_jobs=N_JOBS), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 83 decomposition.NMF(random_state=0), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 84 decomposition.PCA(random_state=0), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 85 decomposition.SparsePCA(random_state=0, n_jobs=N_JOBS), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 86 decomposition.TruncatedSVD(random_state=0), | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 87 kernel_approximation.Nystroem(random_state=0), | 
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changeset | 88 kernel_approximation.RBFSampler(random_state=0), | 
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changeset | 89 kernel_approximation.AdditiveChi2Sampler(), | 
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changeset | 90 kernel_approximation.SkewedChi2Sampler(random_state=0), | 
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changeset | 91 cluster.FeatureAgglomeration(), | 
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changeset | 92 skrebate.ReliefF(n_jobs=N_JOBS), | 
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changeset | 93 skrebate.SURF(n_jobs=N_JOBS), | 
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changeset | 94 skrebate.SURFstar(n_jobs=N_JOBS), | 
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changeset | 95 skrebate.MultiSURF(n_jobs=N_JOBS), | 
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changeset | 96 skrebate.MultiSURFstar(n_jobs=N_JOBS), | 
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changeset | 97 imblearn.under_sampling.ClusterCentroids( | 
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changeset | 98 random_state=0, n_jobs=N_JOBS), | 
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changeset | 99 imblearn.under_sampling.CondensedNearestNeighbour( | 
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changeset | 100 random_state=0, n_jobs=N_JOBS), | 
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changeset | 101 imblearn.under_sampling.EditedNearestNeighbours( | 
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changeset | 102 random_state=0, n_jobs=N_JOBS), | 
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changeset | 103 imblearn.under_sampling.RepeatedEditedNearestNeighbours( | 
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changeset | 104 random_state=0, n_jobs=N_JOBS), | 
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changeset | 105 imblearn.under_sampling.AllKNN(random_state=0, n_jobs=N_JOBS), | 
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changeset | 106 imblearn.under_sampling.InstanceHardnessThreshold( | 
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changeset | 107 random_state=0, n_jobs=N_JOBS), | 
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changeset | 108 imblearn.under_sampling.NearMiss( | 
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changeset | 109 random_state=0, n_jobs=N_JOBS), | 
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changeset | 110 imblearn.under_sampling.NeighbourhoodCleaningRule( | 
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changeset | 111 random_state=0, n_jobs=N_JOBS), | 
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changeset | 112 imblearn.under_sampling.OneSidedSelection( | 
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changeset | 113 random_state=0, n_jobs=N_JOBS), | 
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changeset | 114 imblearn.under_sampling.RandomUnderSampler( | 
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changeset | 115 random_state=0), | 
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changeset | 116 imblearn.under_sampling.TomekLinks( | 
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changeset | 117 random_state=0, n_jobs=N_JOBS), | 
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changeset | 118 imblearn.over_sampling.ADASYN(random_state=0, n_jobs=N_JOBS), | 
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changeset | 119 imblearn.over_sampling.RandomOverSampler(random_state=0), | 
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changeset | 120 imblearn.over_sampling.SMOTE(random_state=0, n_jobs=N_JOBS), | 
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changeset | 121 imblearn.over_sampling.SVMSMOTE(random_state=0, n_jobs=N_JOBS), | 
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changeset | 122 imblearn.over_sampling.BorderlineSMOTE( | 
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changeset | 123 random_state=0, n_jobs=N_JOBS), | 
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changeset | 124 imblearn.over_sampling.SMOTENC( | 
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changeset | 125 categorical_features=[], random_state=0, n_jobs=N_JOBS), | 
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changeset | 126 imblearn.combine.SMOTEENN(random_state=0), | 
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changeset | 127 imblearn.combine.SMOTETomek(random_state=0)) | 
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changeset | 128 newlist = [] | 
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changeset | 129 for obj in ev: | 
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changeset | 130 if obj is None: | 
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changeset | 131 newlist.append(None) | 
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changeset | 132 elif obj == 'all_0': | 
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changeset | 133 newlist.extend(preprocessings[0:35]) | 
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changeset | 134 elif obj == 'sk_prep_all': # no KernalCenter() | 
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changeset | 135 newlist.extend(preprocessings[0:7]) | 
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changeset | 136 elif obj == 'fs_all': | 
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changeset | 137 newlist.extend(preprocessings[7:14]) | 
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changeset | 138 elif obj == 'decomp_all': | 
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changeset | 139 newlist.extend(preprocessings[14:25]) | 
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changeset | 140 elif obj == 'k_appr_all': | 
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changeset | 141 newlist.extend(preprocessings[25:29]) | 
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changeset | 142 elif obj == 'reb_all': | 
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changeset | 143 newlist.extend(preprocessings[30:35]) | 
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changeset | 144 elif obj == 'imb_all': | 
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changeset | 145 newlist.extend(preprocessings[35:54]) | 
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changeset | 146 elif type(obj) is int and -1 < obj < len(preprocessings): | 
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changeset | 147 newlist.append(preprocessings[obj]) | 
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changeset | 148 elif hasattr(obj, 'get_params'): # user uploaded object | 
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changeset | 149 if 'n_jobs' in obj.get_params(): | 
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changeset | 150 newlist.append(obj.set_params(n_jobs=N_JOBS)) | 
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changeset | 151 else: | 
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changeset | 152 newlist.append(obj) | 
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changeset | 153 else: | 
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changeset | 154 sys.exit("Unsupported estimator type: %r" % (obj)) | 
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changeset | 155 | 
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changeset | 156 search_params[param_name] = newlist | 
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changeset | 157 | 
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changeset | 158 return search_params | 
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changeset | 159 | 
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changeset | 160 | 
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changeset | 161 def _handle_X_y(estimator, params, infile1, infile2, loaded_df={}, | 
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changeset | 162 ref_seq=None, intervals=None, targets=None, | 
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changeset | 163 fasta_path=None): | 
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changeset | 164 """read inputs | 
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changeset | 165 | 
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changeset | 166 Params | 
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changeset | 167 ------- | 
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changeset | 168 estimator : estimator object | 
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changeset | 169 params : dict | 
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changeset | 170 Galaxy tool parameter inputs | 
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changeset | 171 infile1 : str | 
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changeset | 172 File path to dataset containing features | 
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changeset | 173 infile2 : str | 
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changeset | 174 File path to dataset containing target values | 
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changeset | 175 loaded_df : dict | 
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changeset | 176 Contains loaded DataFrame objects with file path as keys | 
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changeset | 177 ref_seq : str | 
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changeset | 178 File path to dataset containing genome sequence file | 
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changeset | 179 interval : str | 
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changeset | 180 File path to dataset containing interval file | 
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changeset | 181 targets : str | 
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changeset | 182 File path to dataset compressed target bed file | 
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changeset | 183 fasta_path : str | 
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changeset | 184 File path to dataset containing fasta file | 
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changeset | 185 | 
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changeset | 186 | 
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changeset | 187 Returns | 
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changeset | 188 ------- | 
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changeset | 189 estimator : estimator object after setting new attributes | 
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changeset | 190 X : numpy array | 
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changeset | 191 y : numpy array | 
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changeset | 192 """ | 
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changeset | 193 estimator_params = estimator.get_params() | 
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changeset | 194 | 
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changeset | 195 input_type = params['input_options']['selected_input'] | 
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changeset | 196 # tabular input | 
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changeset | 197 if input_type == 'tabular': | 
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changeset | 198 header = 'infer' if params['input_options']['header1'] else None | 
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changeset | 199 column_option = (params['input_options']['column_selector_options_1'] | 
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changeset | 200 ['selected_column_selector_option']) | 
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changeset | 201 if column_option in ['by_index_number', 'all_but_by_index_number', | 
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changeset | 202 'by_header_name', 'all_but_by_header_name']: | 
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changeset | 203 c = params['input_options']['column_selector_options_1']['col1'] | 
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changeset | 204 else: | 
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changeset | 205 c = None | 
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changeset | 206 | 
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changeset | 207 df_key = infile1 + repr(header) | 
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changeset | 208 | 
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changeset | 209 if df_key in loaded_df: | 
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changeset | 210 infile1 = loaded_df[df_key] | 
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changeset | 211 | 
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changeset | 212 df = pd.read_csv(infile1, sep='\t', header=header, | 
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changeset | 213 parse_dates=True) | 
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changeset | 214 loaded_df[df_key] = df | 
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changeset | 215 | 
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changeset | 216 X = read_columns(df, c=c, c_option=column_option).astype(float) | 
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changeset | 217 # sparse input | 
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changeset | 218 elif input_type == 'sparse': | 
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changeset | 219 X = mmread(open(infile1, 'r')) | 
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changeset | 220 | 
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changeset | 221 # fasta_file input | 
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changeset | 222 elif input_type == 'seq_fasta': | 
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changeset | 223 pyfaidx = get_module('pyfaidx') | 
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changeset | 224 sequences = pyfaidx.Fasta(fasta_path) | 
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changeset | 225 n_seqs = len(sequences.keys()) | 
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changeset | 226 X = np.arange(n_seqs)[:, np.newaxis] | 
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changeset | 227 for param in estimator_params.keys(): | 
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changeset | 228 if param.endswith('fasta_path'): | 
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changeset | 229 estimator.set_params( | 
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changeset | 230 **{param: fasta_path}) | 
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changeset | 231 break | 
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changeset | 232 else: | 
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changeset | 233 raise ValueError( | 
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changeset | 234 "The selected estimator doesn't support " | 
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changeset | 235 "fasta file input! Please consider using " | 
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changeset | 236 "KerasGBatchClassifier with " | 
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changeset | 237 "FastaDNABatchGenerator/FastaProteinBatchGenerator " | 
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changeset | 238 "or having GenomeOneHotEncoder/ProteinOneHotEncoder " | 
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changeset | 239 "in pipeline!") | 
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changeset | 240 | 
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changeset | 241 elif input_type == 'refseq_and_interval': | 
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changeset | 242 path_params = { | 
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changeset | 243 'data_batch_generator__ref_genome_path': ref_seq, | 
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changeset | 244 'data_batch_generator__intervals_path': intervals, | 
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changeset | 245 'data_batch_generator__target_path': targets | 
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changeset | 246 } | 
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changeset | 247 estimator.set_params(**path_params) | 
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changeset | 248 n_intervals = sum(1 for line in open(intervals)) | 
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changeset | 249 X = np.arange(n_intervals)[:, np.newaxis] | 
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changeset | 250 | 
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changeset | 251 # Get target y | 
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changeset | 252 header = 'infer' if params['input_options']['header2'] else None | 
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changeset | 253 column_option = (params['input_options']['column_selector_options_2'] | 
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changeset | 254 ['selected_column_selector_option2']) | 
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changeset | 255 if column_option in ['by_index_number', 'all_but_by_index_number', | 
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changeset | 256 'by_header_name', 'all_but_by_header_name']: | 
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changeset | 257 c = params['input_options']['column_selector_options_2']['col2'] | 
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changeset | 258 else: | 
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changeset | 259 c = None | 
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changeset | 260 | 
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changeset | 261 df_key = infile2 + repr(header) | 
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changeset | 262 if df_key in loaded_df: | 
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changeset | 263 infile2 = loaded_df[df_key] | 
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changeset | 264 else: | 
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changeset | 265 infile2 = pd.read_csv(infile2, sep='\t', | 
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changeset | 266 header=header, parse_dates=True) | 
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changeset | 267 loaded_df[df_key] = infile2 | 
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changeset | 268 | 
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changeset | 269 y = read_columns( | 
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changeset | 270 infile2, | 
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changeset | 271 c=c, | 
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changeset | 272 c_option=column_option, | 
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changeset | 273 sep='\t', | 
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changeset | 274 header=header, | 
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changeset | 275 parse_dates=True) | 
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changeset | 276 if len(y.shape) == 2 and y.shape[1] == 1: | 
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changeset | 277 y = y.ravel() | 
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changeset | 278 if input_type == 'refseq_and_interval': | 
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changeset | 279 estimator.set_params( | 
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changeset | 280 data_batch_generator__features=y.ravel().tolist()) | 
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changeset | 281 y = None | 
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changeset | 282 # end y | 
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changeset | 283 | 
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changeset | 284 return estimator, X, y | 
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changeset | 285 | 
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changeset | 286 | 
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changeset | 287 def _do_outer_cv(searcher, X, y, outer_cv, scoring, error_score='raise', | 
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changeset | 288 outfile=None): | 
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changeset | 289 """Do outer cross-validation for nested CV | 
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changeset | 290 | 
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changeset | 291 Parameters | 
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changeset | 292 ---------- | 
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changeset | 293 searcher : object | 
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changeset | 294 SearchCV object | 
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changeset | 295 X : numpy array | 
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changeset | 296 Containing features | 
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changeset | 297 y : numpy array | 
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changeset | 298 Target values or labels | 
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changeset | 299 outer_cv : int or CV splitter | 
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changeset | 300 Control the cv splitting | 
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changeset | 301 scoring : object | 
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changeset | 302 Scorer | 
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changeset | 303 error_score: str, float or numpy float | 
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changeset | 304 Whether to raise fit error or return an value | 
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changeset | 305 outfile : str | 
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changeset | 306 File path to store the restuls | 
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changeset | 307 """ | 
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changeset | 308 if error_score == 'raise': | 
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changeset | 309 rval = cross_validate( | 
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changeset | 310 searcher, X, y, scoring=scoring, | 
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changeset | 311 cv=outer_cv, n_jobs=N_JOBS, verbose=0, | 
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changeset | 312 error_score=error_score) | 
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changeset | 313 else: | 
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changeset | 314 warnings.simplefilter('always', FitFailedWarning) | 
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changeset | 315 with warnings.catch_warnings(record=True) as w: | 
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changeset | 316 try: | 
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changeset | 317 rval = cross_validate( | 
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changeset | 318 searcher, X, y, | 
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changeset | 319 scoring=scoring, | 
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changeset | 320 cv=outer_cv, n_jobs=N_JOBS, | 
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changeset | 321 verbose=0, | 
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changeset | 322 error_score=error_score) | 
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changeset | 323 except ValueError: | 
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changeset | 324 pass | 
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changeset | 325 for warning in w: | 
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changeset | 326 print(repr(warning.message)) | 
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changeset | 327 | 
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changeset | 328 keys = list(rval.keys()) | 
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changeset | 329 for k in keys: | 
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changeset | 330 if k.startswith('test'): | 
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changeset | 331 rval['mean_' + k] = np.mean(rval[k]) | 
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changeset | 332 rval['std_' + k] = np.std(rval[k]) | 
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changeset | 333 if k.endswith('time'): | 
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changeset | 334 rval.pop(k) | 
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changeset | 335 rval = pd.DataFrame(rval) | 
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changeset | 336 rval = rval[sorted(rval.columns)] | 
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changeset | 337 rval.to_csv(path_or_buf=outfile, sep='\t', header=True, index=False) | 
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changeset | 338 | 
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changeset | 339 | 
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changeset | 340 def _do_train_test_split_val(searcher, X, y, params, error_score='raise', | 
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changeset | 341 primary_scoring=None, groups=None, | 
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changeset | 342 outfile=None): | 
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changeset | 343 """ do train test split, searchCV validates on the train and then use | 
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changeset | 344 the best_estimator_ to evaluate on the test | 
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changeset | 345 | 
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changeset | 346 Returns | 
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changeset | 347 -------- | 
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changeset | 348 Fitted SearchCV object | 
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changeset | 349 """ | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 350 train_test_split = try_get_attr( | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 351 'galaxy_ml.model_validations', 'train_test_split') | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 352 split_options = params['outer_split'] | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 353 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 354 # splits | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 355 if split_options['shuffle'] == 'stratified': | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 356 split_options['labels'] = y | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 357 X, X_test, y, y_test = train_test_split(X, y, **split_options) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 358 elif split_options['shuffle'] == 'group': | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 359 if groups is None: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 360 raise ValueError("No group based CV option was choosen for " | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 361 "group shuffle!") | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 362 split_options['labels'] = groups | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 363 if y is None: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 364 X, X_test, groups, _ =\ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 365 train_test_split(X, groups, **split_options) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 366 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 367 X, X_test, y, y_test, groups, _ =\ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 368 train_test_split(X, y, groups, **split_options) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 369 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 370 if split_options['shuffle'] == 'None': | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 371 split_options['shuffle'] = None | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 372 X, X_test, y, y_test =\ | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 373 train_test_split(X, y, **split_options) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 374 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 375 if error_score == 'raise': | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 376 searcher.fit(X, y, groups=groups) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 377 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 378 warnings.simplefilter('always', FitFailedWarning) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 379 with warnings.catch_warnings(record=True) as w: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 380 try: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 381 searcher.fit(X, y, groups=groups) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 382 except ValueError: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 383 pass | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 384 for warning in w: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 385 print(repr(warning.message)) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 386 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 387 scorer_ = searcher.scorer_ | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 388 if isinstance(scorer_, collections.Mapping): | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 389 is_multimetric = True | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 390 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 391 is_multimetric = False | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 392 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 393 best_estimator_ = getattr(searcher, 'best_estimator_') | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 394 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 395 # TODO Solve deep learning models in pipeline | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 396 if best_estimator_.__class__.__name__ == 'KerasGBatchClassifier': | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 397 test_score = best_estimator_.evaluate( | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 398 X_test, scorer=scorer_, is_multimetric=is_multimetric) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 399 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 400 test_score = _score(best_estimator_, X_test, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 401 y_test, scorer_, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 402 is_multimetric=is_multimetric) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 403 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 404 if not is_multimetric: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 405 test_score = {primary_scoring: test_score} | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 406 for key, value in test_score.items(): | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 407 test_score[key] = [value] | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 408 result_df = pd.DataFrame(test_score) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 409 result_df.to_csv(path_or_buf=outfile, sep='\t', header=True, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 410 index=False) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 411 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 412 return searcher | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 413 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 414 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 415 def main(inputs, infile_estimator, infile1, infile2, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 416 outfile_result, outfile_object=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 417 outfile_weights=None, groups=None, | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 418 ref_seq=None, intervals=None, targets=None, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 419 fasta_path=None): | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 420 """ | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 421 Parameter | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 422 --------- | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 423 inputs : str | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 424 File path to galaxy tool parameter | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 425 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 426 infile_estimator : str | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 427 File path to estimator | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 428 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 429 infile1 : str | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 430 File path to dataset containing features | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 431 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 432 infile2 : str | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 433 File path to dataset containing target values | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 434 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 435 outfile_result : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 436 File path to save the results, either cv_results or test result | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 437 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 438 outfile_object : str, optional | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 439 File path to save searchCV object | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 440 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 441 outfile_weights : str, optional | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 442 File path to save model weights | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 443 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 444 groups : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 445 File path to dataset containing groups labels | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 446 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 447 ref_seq : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 448 File path to dataset containing genome sequence file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 449 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 450 intervals : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 451 File path to dataset containing interval file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 452 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 453 targets : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 454 File path to dataset compressed target bed file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 455 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 456 fasta_path : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 457 File path to dataset containing fasta file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 458 """ | 
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changeset | 459 warnings.simplefilter('ignore') | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 460 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 461 # store read dataframe object | 
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changeset | 462 loaded_df = {} | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 463 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 464 with open(inputs, 'r') as param_handler: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 465 params = json.load(param_handler) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 466 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 467 # Override the refit parameter | 
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changeset | 468 params['search_schemes']['options']['refit'] = True \ | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 469 if params['save'] != 'nope' else False | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 470 | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 471 with open(infile_estimator, 'rb') as estimator_handler: | 
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changeset | 472 estimator = load_model(estimator_handler) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 473 | 
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changeset | 474 optimizer = params['search_schemes']['selected_search_scheme'] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 475 optimizer = getattr(model_selection, optimizer) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 476 | 
| 2 
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changeset | 477 # handle gridsearchcv options | 
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changeset | 478 options = params['search_schemes']['options'] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 479 | 
| 2 
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changeset | 480 if groups: | 
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changeset | 481 header = 'infer' if (options['cv_selector']['groups_selector'] | 
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changeset | 482 ['header_g']) else None | 
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changeset | 483 column_option = (options['cv_selector']['groups_selector'] | 
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changeset | 484 ['column_selector_options_g'] | 
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changeset | 485 ['selected_column_selector_option_g']) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 486 if column_option in ['by_index_number', 'all_but_by_index_number', | 
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changeset | 487 'by_header_name', 'all_but_by_header_name']: | 
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changeset | 488 c = (options['cv_selector']['groups_selector'] | 
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changeset | 489 ['column_selector_options_g']['col_g']) | 
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changeset | 490 else: | 
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changeset | 491 c = None | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 492 | 
| 
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changeset | 493 df_key = groups + repr(header) | 
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changeset | 494 | 
| 
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changeset | 495 groups = pd.read_csv(groups, sep='\t', header=header, | 
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changeset | 496 parse_dates=True) | 
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changeset | 497 loaded_df[df_key] = groups | 
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changeset | 498 | 
| 
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changeset | 499 groups = read_columns( | 
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changeset | 500 groups, | 
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changeset | 501 c=c, | 
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changeset | 502 c_option=column_option, | 
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changeset | 503 sep='\t', | 
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changeset | 504 header=header, | 
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changeset | 505 parse_dates=True) | 
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changeset | 506 groups = groups.ravel() | 
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changeset | 507 options['cv_selector']['groups_selector'] = groups | 
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changeset | 508 | 
| 0 
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changeset | 509 splitter, groups = get_cv(options.pop('cv_selector')) | 
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changeset | 510 options['cv'] = splitter | 
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changeset | 511 primary_scoring = options['scoring']['primary_scoring'] | 
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changeset | 512 options['scoring'] = get_scoring(options['scoring']) | 
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changeset | 513 if options['error_score']: | 
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changeset | 514 options['error_score'] = 'raise' | 
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changeset | 515 else: | 
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changeset | 516 options['error_score'] = np.NaN | 
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changeset | 517 if options['refit'] and isinstance(options['scoring'], dict): | 
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changeset | 518 options['refit'] = primary_scoring | 
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changeset | 519 if 'pre_dispatch' in options and options['pre_dispatch'] == '': | 
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changeset | 520 options['pre_dispatch'] = None | 
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changeset | 521 | 
| 7 
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changeset | 522 params_builder = params['search_schemes']['search_params_builder'] | 
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changeset | 523 param_grid = _eval_search_params(params_builder) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 524 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 525 estimator = clean_params(estimator) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 526 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 527 # save the SearchCV object without fit | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 528 if params['save'] == 'save_no_fit': | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 529 searcher = optimizer(estimator, param_grid, **options) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 530 print(searcher) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 531 with open(outfile_object, 'wb') as output_handler: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 532 pickle.dump(searcher, output_handler, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 533 pickle.HIGHEST_PROTOCOL) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 534 return 0 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 535 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 536 # read inputs and loads new attributes, like paths | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 537 estimator, X, y = _handle_X_y(estimator, params, infile1, infile2, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 538 loaded_df=loaded_df, ref_seq=ref_seq, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 539 intervals=intervals, targets=targets, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 540 fasta_path=fasta_path) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 541 | 
| 0 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 542 # cache iraps_core fits could increase search speed significantly | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 543 memory = joblib.Memory(location=CACHE_DIR, verbose=0) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 544 main_est = get_main_estimator(estimator) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 545 if main_est.__class__.__name__ == 'IRAPSClassifier': | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 546 main_est.set_params(memory=memory) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 547 | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 548 searcher = optimizer(estimator, param_grid, **options) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 549 | 
| 2 
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changeset | 550 split_mode = params['outer_split'].pop('split_mode') | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 551 | 
| 2 
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changeset | 552 if split_mode == 'nested_cv': | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 553 # make sure refit is choosen | 
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changeset | 554 # this could be True for sklearn models, but not the case for | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 555 # deep learning models | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 556 if not options['refit'] and \ | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 557 not all(hasattr(estimator, attr) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 558 for attr in ('config', 'model_type')): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 559 warnings.warn("Refit is change to `True` for nested validation!") | 
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changeset | 560 setattr(searcher, 'refit', True) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 561 | 
| 2 
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changeset | 562 outer_cv, _ = get_cv(params['outer_split']['cv_selector']) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 563 # nested CV, outer cv using cross_validate | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 564 if options['error_score'] == 'raise': | 
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changeset | 565 rval = cross_validate( | 
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changeset | 566 searcher, X, y, scoring=options['scoring'], | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 567 cv=outer_cv, n_jobs=N_JOBS, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 568 verbose=options['verbose'], | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 569 return_estimator=(params['save'] == 'save_estimator'), | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 570 error_score=options['error_score'], | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 571 return_train_score=True) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 572 else: | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 573 warnings.simplefilter('always', FitFailedWarning) | 
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changeset | 574 with warnings.catch_warnings(record=True) as w: | 
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changeset | 575 try: | 
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changeset | 576 rval = cross_validate( | 
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changeset | 577 searcher, X, y, | 
| 
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changeset | 578 scoring=options['scoring'], | 
| 
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changeset | 579 cv=outer_cv, n_jobs=N_JOBS, | 
| 7 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 580 verbose=options['verbose'], | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 581 return_estimator=(params['save'] == 'save_estimator'), | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 582 error_score=options['error_score'], | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 583 return_train_score=True) | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 584 except ValueError: | 
| 
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changeset | 585 pass | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 586 for warning in w: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 587 print(repr(warning.message)) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 588 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 589 fitted_searchers = rval.pop('estimator', []) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 590 if fitted_searchers: | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 591 import os | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 592 pwd = os.getcwd() | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 593 save_dir = os.path.join(pwd, 'cv_results_in_folds') | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 594 try: | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 595 os.mkdir(save_dir) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 596 for idx, obj in enumerate(fitted_searchers): | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 597 target_name = 'cv_results_' + '_' + 'split%d' % idx | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 598 target_path = os.path.join(pwd, save_dir, target_name) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 599 cv_results_ = getattr(obj, 'cv_results_', None) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 600 if not cv_results_: | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 601 print("%s is not available" % target_name) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 602 continue | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 603 cv_results_ = pd.DataFrame(cv_results_) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 604 cv_results_ = cv_results_[sorted(cv_results_.columns)] | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 605 cv_results_.to_csv(target_path, sep='\t', header=True, | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 606 index=False) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 607 except Exception as e: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 608 print(e) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 609 finally: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 610 del os | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 611 | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 612 keys = list(rval.keys()) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 613 for k in keys: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 614 if k.startswith('test'): | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 615 rval['mean_' + k] = np.mean(rval[k]) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 616 rval['std_' + k] = np.std(rval[k]) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 617 if k.endswith('time'): | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 618 rval.pop(k) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 619 rval = pd.DataFrame(rval) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 620 rval = rval[sorted(rval.columns)] | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 621 rval.to_csv(path_or_buf=outfile_result, sep='\t', header=True, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 622 index=False) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 623 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 624 return 0 | 
| 0 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 625 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 626 # deprecate train test split mode | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 627 """searcher = _do_train_test_split_val( | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 628 searcher, X, y, params, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 629 primary_scoring=primary_scoring, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 630 error_score=options['error_score'], | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 631 groups=groups, | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 632 outfile=outfile_result)""" | 
| 0 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 633 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 634 # no outer split | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 635 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 636 searcher.set_params(n_jobs=N_JOBS) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 637 if options['error_score'] == 'raise': | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 638 searcher.fit(X, y, groups=groups) | 
| 0 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 639 else: | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 640 warnings.simplefilter('always', FitFailedWarning) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 641 with warnings.catch_warnings(record=True) as w: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 642 try: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 643 searcher.fit(X, y, groups=groups) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 644 except ValueError: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 645 pass | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 646 for warning in w: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 647 print(repr(warning.message)) | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 648 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 649 cv_results = pd.DataFrame(searcher.cv_results_) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 650 cv_results = cv_results[sorted(cv_results.columns)] | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 651 cv_results.to_csv(path_or_buf=outfile_result, sep='\t', | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 652 header=True, index=False) | 
| 0 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 653 | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 654 memory.clear(warn=False) | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 655 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 656 # output best estimator, and weights if applicable | 
| 0 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 657 if outfile_object: | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 658 best_estimator_ = getattr(searcher, 'best_estimator_', None) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 659 if not best_estimator_: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 660 warnings.warn("GridSearchCV object has no attribute " | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 661 "'best_estimator_', because either it's " | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 662 "nested gridsearch or `refit` is False!") | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 663 return | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 664 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 665 # clean prams | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 666 best_estimator_ = clean_params(best_estimator_) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 667 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
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changeset | 668 main_est = get_main_estimator(best_estimator_) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 669 | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 670 if hasattr(main_est, 'model_') \ | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 671 and hasattr(main_est, 'save_weights'): | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 672 if outfile_weights: | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 673 main_est.save_weights(outfile_weights) | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 674 del main_est.model_ | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 675 del main_est.fit_params | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 676 del main_est.model_class_ | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 677 del main_est.validation_data | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 678 if getattr(main_est, 'data_generator_', None): | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 679 del main_est.data_generator_ | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 680 | 
| 0 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 681 with open(outfile_object, 'wb') as output_handler: | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: 
3diff
changeset | 682 print("Best estimator is saved: %s " % repr(best_estimator_)) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
0diff
changeset | 683 pickle.dump(best_estimator_, output_handler, | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: 
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changeset | 684 pickle.HIGHEST_PROTOCOL) | 
| 0 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 685 | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 686 | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 687 if __name__ == '__main__': | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 688 aparser = argparse.ArgumentParser() | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 689 aparser.add_argument("-i", "--inputs", dest="inputs", required=True) | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 690 aparser.add_argument("-e", "--estimator", dest="infile_estimator") | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 691 aparser.add_argument("-X", "--infile1", dest="infile1") | 
| 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 bgruening parents: diff
changeset | 692 aparser.add_argument("-y", "--infile2", dest="infile2") | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 693 aparser.add_argument("-O", "--outfile_result", dest="outfile_result") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 694 aparser.add_argument("-o", "--outfile_object", dest="outfile_object") | 
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changeset | 695 aparser.add_argument("-w", "--outfile_weights", dest="outfile_weights") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 696 aparser.add_argument("-g", "--groups", dest="groups") | 
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changeset | 697 aparser.add_argument("-r", "--ref_seq", dest="ref_seq") | 
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changeset | 698 aparser.add_argument("-b", "--intervals", dest="intervals") | 
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changeset | 699 aparser.add_argument("-t", "--targets", dest="targets") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 700 aparser.add_argument("-f", "--fasta_path", dest="fasta_path") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 701 args = aparser.parse_args() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 702 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 703 main(args.inputs, args.infile_estimator, args.infile1, args.infile2, | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
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changeset | 704 args.outfile_result, outfile_object=args.outfile_object, | 
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changeset | 705 outfile_weights=args.outfile_weights, groups=args.groups, | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 706 ref_seq=args.ref_seq, intervals=args.intervals, | 
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changeset | 707 targets=args.targets, fasta_path=args.fasta_path) | 
