diff rankfilter_GCMS/test/test_pdfread.py @ 26:637830ac8bcd

added validation in metexp to tabular tool; added workaround/fix for L and D compound types

--- a/rankfilter_GCMS/test/test_pdfread.py	Fri Apr 04 10:25:19 2014 +0200
+++ b/rankfilter_GCMS/test/test_pdfread.py	Thu Apr 24 11:28:38 2014 +0200
@@ -24,6 +24,13 @@
         '18495-0.142537-21284-2.26544e+07-135', '22.6544', ' 714'))
         self.failUnless(expected_element in data)
         self.failUnless(len(hitlist_missed) != 0)
+        '''
+        Check for last (dummy) hit:  
+        Hit 6 : (dummy hit)Sorbopyranose, 1,2,3,4,5-pentakis-O-(trimethylsilyl)-, LC21H52O6Si5;MF: 658; RMF: 658; Prob 15.6%; CAS: 30645-02-4; Lib: mainlib; ID: 37062.
+        '''
+        expected_element = set(['C21H52O6Si5', ' 30645-02-4', ' mainlib', '15.6', ' (dummy hit)Sorbopyranose, 1,2,3,4,5-pentakis-O-(trimethylsilyl)-, L C21H52O6Si5', '7298-1-9580-1.29014e+07-9', ' 658', '12.9014', '37062'])
+        self.failUnless(expected_element in data)
+        
 
 if __name__ == "__main__":
     #import sys;sys.argv = ['', 'Test.test_getPDF']