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Remove deprecated checkDuplicateKinetics function in chemkin reader.
Now using markDuplicateReactions instead.
1 parent f59d6db commit 69d6634

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rmgpy/chemkin.py

Lines changed: 0 additions & 39 deletions
Original file line numberDiff line numberDiff line change
@@ -556,45 +556,6 @@ def loadChemkinFile(path, dictionaryPath=None):
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if dictionaryPath:
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speciesDict = loadSpeciesDictionary(dictionaryPath)
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def checkDuplicateKinetics(reaction, kinetics,comments,dupReactionList,reactionList):
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if 'DUP' in kinetics:
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kinetics = kinetics.replace('\nDUP','')
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reaction = readKineticsEntry(kinetics,speciesDict,energyUnits,moleculeUnits)
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reaction.kinetics.comment = comments
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if dupReactionList:
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if not reaction.hasTemplate(dupReactionList[-1].reactants,dupReactionList[-1].products):
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# It's not the same kind of duplicate reaction
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oldReactionKinetics = MultiKinetics()
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for item in dupReactionList:
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oldReactionKinetics.kineticsList.append(item.kinetics)
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oldReaction = dupReactionList[0]
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oldReaction.kinetics = oldReactionKinetics
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reactionList.append(oldReaction)
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dupReactionList = []
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dupReactionList.append(reaction)
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kinetics = ''
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comments = ''
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return reaction, kinetics, comments, dupReactionList, reactionList
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else:
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# No more duplicate reactions
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if dupReactionList:
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# add previous reaction if they were duplicate reactions
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oldReactionKinetics = MultiKinetics()
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for item in dupReactionList:
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oldReactionKinetics.kineticsList.append(item.kinetics)
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oldReaction = dupReactionList[0]
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oldReaction.kinetics = oldReactionKinetics
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reactionList.append(oldReaction)
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dupReactionList = []
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# add this new, nonduplicate reaction
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reaction = readKineticsEntry(kinetics,speciesDict,energyUnits,moleculeUnits)
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reaction.kinetics.comment = comments
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reactionList.append(reaction)
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kinetics = ''
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comments = ''
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return reaction, kinetics, comments, dupReactionList, reactionList
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with open(path, 'r') as f:
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line0 = f.readline()

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