Mercurial > repos > pieterlukasse > prims_metabolomics

comparison test/test_query_mass_repos.py @ 26:637830ac8bcd

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added validation in metexp to tabular tool; added workaround/fix for L and D compound types
author pieter.lukasse@wur.nl
date Thu, 24 Apr 2014 11:28:38 +0200
parents 85fd05d0d16c
children
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25:ab7f9ec70ffc 26:637830ac8bcd
29 # mass_tolerance = float(sys.argv[4]) 29 # mass_tolerance = float(sys.argv[4])
30 # output_result = sys.argv[5] 30 # output_result = sys.argv[5]
31 31
32 input_file = resource_filename(__name__, "data/service_query_tabular.txt") 32 input_file = resource_filename(__name__, "data/service_query_tabular.txt")
33 33
34 molecular_mass_col = "MM" 34 molecular_mass_col = "mass (Da)"
35 dblink_file = resource_filename(__name__, "data/MFSearcher ExactMassDB service.txt") 35 dblink_file = resource_filename(__name__, "data/MFSearcher ExactMassDB service.txt")
36 output_result = resource_filename(__name__, outdir + "metexp_query_results_added.txt") 36 output_result = resource_filename(__name__, outdir + "metexp_query_results_added.txt")
37 37
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39 39