Skip to content

Commit

Permalink
Fix up for reading in chemkin dup reactions
Browse files Browse the repository at this point in the history
importChemkinLibrary.py was failing for a chemkin file with duplicate
reactions that are written in opposite directions (i.e., A=B and B=A).
  • Loading branch information
enochd authored and connie committed Feb 2, 2015
1 parent 1c49060 commit 160ad1b
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions rmgpy/data/kinetics/library.py
Original file line number Diff line number Diff line change
Expand Up @@ -136,7 +136,7 @@ def markValidDuplicates(self, reactions1, reactions2):
):
r1.duplicate = True
r2.duplicate = True

def checkForDuplicates(self):
"""
Check that all duplicate reactions in the kinetics library are
Expand Down Expand Up @@ -178,8 +178,8 @@ def convertDuplicatesToMulti(self):
print "Reactions isomorphic but with different reversibilities"
continue
duplicates.append(entry)

assert len(duplicates)>1
if len(duplicates)<=1:
continue
kineticsList = []
longDesc = ''

Expand Down

0 comments on commit 160ad1b

Please sign in to comment.