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Add and modify calls for generateTransportData()#167

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rwest merged 2 commits into
ReactionMechanismGenerator:masterfrom
bbuesser:master
Dec 12, 2013
Merged

Add and modify calls for generateTransportData()#167
rwest merged 2 commits into
ReactionMechanismGenerator:masterfrom
bbuesser:master

Add function updateLonePairs() and call in fromRDKitMol()

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