Mercurial > repos > recetox > aplcms_to_ramclustr_converter
view aplcms_to_ramclustr_converter.py @ 0:c6c0f6027e34 draft default tip
"planemo upload for repository https://github.com/RECETOX/galaxytools/tools/aplcms_to_ramclustr_converter/ commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author | recetox |
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date | Tue, 22 Mar 2022 16:06:28 +0000 |
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#!/usr/bin/env python import argparse import sys import pandas as pd parser = argparse.ArgumentParser() parser.add_argument("--dataframe", help="Parquet dataframe") parser.add_argument('output') args = parser.parse_args() def main(): featureTable = pd.read_parquet(args.dataframe) # Concatenate "mz" and "rt" columns; select relevant columns; pivot the table featureTable["mz_rt"] = featureTable["mz"].astype(str) + "_" + featureTable["rt"].astype(str) featureTable = featureTable[["sample", "mz_rt", "sample_intensity"]] featureTable = pd.pivot_table(featureTable, columns="mz_rt", index="sample", values="sample_intensity") try: featureTable.to_csv(args.output, sep=',') msg = f"Dataset of {len(featureTable)} samples is converted to a feature-by-sample table" print(msg, file=sys.stdout) return 0 except Exception: print("Could not write the data", file=sys.stdout) return 1 if __name__ == "__main__": main()