Mercurial > repos > galaxyp > hardklor
view hardklor.py @ 5:c5b3b7eafd46 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tools/hardklor commit 21855dec2949420d3bccfd6c9912578e9aacecf0
author | galaxyp |
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date | Sat, 19 Aug 2017 08:00:25 -0400 |
parents | d796e6613d19 |
children | 73fc27617b2e |
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""" Usage: python hardklor.py ms1extenstion ms2extension ms1file ms2file outputfile """ import sys import os import subprocess CONFIG_FILE = 'hk.conf' extension_lookup = { 'mzml' : 'mzML', 'mzxml' : 'mzXML', 'ms1' : 'MS1', } # input: ms1_ext = sys.argv[1] ms1_file = sys.argv[2] output_file = sys.argv[3] config_load = os.path.join(os.path.split(sys.argv[0])[0], 'hardklor.conf') # parse options options = {} for arg in [x.split('=') for x in sys.argv[4:]]: if arg[1] != '': options[arg[0].replace('-', '')] = arg[1] # create softlinks since hardklor needs "proper" extensions for input files if ms1_ext in extension_lookup: ms1_ext = extension_lookup[ms1_ext] linkname = 'ms1_dsetlink.{0}'.format(ms1_ext) os.symlink(ms1_file, linkname) ms1_file = linkname # load template and dump to config file with open(config_load) as fp: config_str = fp.read() config_to_dump = config_str.format( instrument=options['instrument'], resolution=options['resolution'], centroided=options['centroided'], mslvl=options['mslvl'], depth=options['depth'], algorithm=options['algorithm'], charge_algo=options['charge_algo'], mincharge=options['mincharge'], maxcharge=options['maxcharge'], correlation=options['correlation'], sensitivity=options['sensitivity'], maxfeat=options['maxfeat'], inputfile=ms1_file, outputfile=output_file, ) with open(CONFIG_FILE, 'w') as fp: fp.write(config_to_dump) # Run hardklor err = subprocess.call(['hardklor', CONFIG_FILE]) sys.exit(err)