Commit 0068b992 authored by Nils Hoffmann's avatar Nils Hoffmann

Added markings and TODOs to fix issues.

parent d0940503
......@@ -1089,6 +1089,7 @@ def p_error(p):
parser = yacc.yacc(debug = 0, optimize = 0)
#bparser = yacc.yacc(method = 'LALR')
# Start parsing of MFQL
def startParsing(dictData, mfqlObjIn, ms, isotopicCorrectionMS, isotopicCorrectionMSMS,
complementSC, parent, progressCount, generateStatistics, mode = ""):
......@@ -1132,6 +1133,15 @@ def startParsing(dictData, mfqlObjIn, ms, isotopicCorrectionMS, isotopicCorrecti
mfqlObj.reset()
# FIXME the listMarks need to be filtered
### filter to select marking with smallest PPM error if multiple exist ###
# class TypeScan , se = survey entry, see MasterScan -> listSurveyEntry
# SurveyEntry -> listMark -> marks of precursor mass, eventuell reicht es listMarks zu filtern und listPrecurmassSF
# it might be better to delete the complete SurveyEntry
# MS/MS does not need to be corrected now
#for e in mfqlObj.sc.listSurveyEntry:
# in e list marks
if isotopicCorrectionMS:
#mfqlObj.result.isotopicCorrectionMSMS()
print "type II isotopic correction in MS ...",
......
......@@ -95,6 +95,7 @@ class TypeScan:
for mo in self.scanTerm:
groups.append([])
# loop over peak markings -> replace with index to lookup predecessor and next one?
for se in self.mfqlObj.sc.listSurveyEntry:
for indexM in range(len(self.scanTerm)):
......
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