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Fix some commentary in script
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connie committed Jul 22, 2016
1 parent f0db6ff commit 4cbde0b
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion testing/evaluateKinetics.py
Original file line number Diff line number Diff line change
Expand Up @@ -263,7 +263,7 @@ def compareNIST(FullDatabase, trialDir):
parityData=analyzeForParity(exactKinetics, approxKinetics, cutoff=8.0)

if len(parityData)<2:
print ' Skipping', familyName, ': only one rate rule was calculated...'
print ' Skipping', familyName, ': Less than 2 reactions were compared...'
continue
QDict[familyName]=calculateQ(parityData)
createParityPlot(parityData)
Expand Down Expand Up @@ -374,6 +374,7 @@ def leaveOneOut(FullDatabase, trialDir):
print 'Performing the leave on out test on the kinetics families...'
leaveOneOut(FullDatabase, trialDir)

print 'Filling up the family rate rules by averaging... Expect larger number of rate rules in subsequent tests'
# Fill in the rate rules by averaging when we are ready to compare real kinetics
for family in FullDatabase.kinetics.families.values():
family.fillKineticsRulesByAveragingUp()
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