# HG changeset patch
# User recetox
# Date 1641914037 0
# Node ID 364976b9aba6bf16efa5ef7d0fda8d8fd1095fd5
# Parent 0a08bed94964a04684f3da3d00fa8015179baba1
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 67040e686204e86c07ec46ca90129e50e40eb737"
diff -r 0a08bed94964 -r 364976b9aba6 formatter.py
--- a/formatter.py Sat Oct 30 13:48:25 2021 +0000
+++ b/formatter.py Tue Jan 11 15:13:57 2022 +0000
@@ -73,8 +73,8 @@
Returns:
DataFrame: Joined dataframe on compounds containing scores an matches in long format.
"""
- matches = read_csv(matches_filename, sep='\t', index_col=0)
- scores = read_csv(scores_filename, sep='\t', index_col=0)
+ matches = read_csv(matches_filename, sep=None, index_col=0)
+ scores = read_csv(scores_filename, sep=None, index_col=0)
scores_long = create_long_table(scores, 'score')
matches_long = create_long_table(matches, 'matches')
@@ -113,8 +113,11 @@
@cli.resultcallback()
def write_output(result: DataFrame, scores_filename, matches_filename, output_filename):
+ input_file = read_csv(scores_filename, sep=None, iterator=True)
+ sep = input_file._engine.data.dialect.delimiter
+
result = result.reset_index().rename(columns={'level_0': 'query', 'compound': 'reference'})
- result.to_csv(output_filename, sep="\t", index=False)
+ result.to_csv(output_filename, sep=sep, index=False)
if __name__ == '__main__':
diff -r 0a08bed94964 -r 364976b9aba6 matchms_formatter.xml
--- a/matchms_formatter.xml Sat Oct 30 13:48:25 2021 +0000
+++ b/matchms_formatter.xml Tue Jan 11 15:13:57 2022 +0000
@@ -31,8 +31,8 @@
-
-
+
+
@@ -52,7 +52,7 @@
-
+