Mercurial > repos > pieterlukasse > prims_metabolomics

diff 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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--- a/test/test_query_mass_repos.py	Fri Apr 04 10:25:19 2014 +0200
+++ b/test/test_query_mass_repos.py	Thu Apr 24 11:28:38 2014 +0200
@@ -31,7 +31,7 @@
         
         input_file = resource_filename(__name__, "data/service_query_tabular.txt")
 
-        molecular_mass_col = "MM"
+        molecular_mass_col = "mass (Da)"
         dblink_file = resource_filename(__name__, "data/MFSearcher ExactMassDB service.txt")
         output_result = resource_filename(__name__, outdir + "metexp_query_results_added.txt")