[OpenBabel-Devel] [PATCH] Fix [#1v2] hydrogen valence calculation

2011-12-07 Thread roger
} OBMol *mol = (OBMol*)((OBAtom*)this)->GetParent(); if (mol && !mol->HasImplicitValencePerceived()) atomtyper.AssignImplicitValence(*((OBMol*)((OBAtom*)this)->GetParent())); Thanks in advance, Ro

[OpenBabel-Devel] [PATCH] Inefficient idiom with STL empty() and size()

2011-12-07 Thread roger
are fixed or when bonds are fixed, this function will Thanks in advance, Roger -- Roger Sayle, Ph.D. CEO and founder NextMove Software Ltd Cambridge, UK -- Cloud Services Checklist: Pricing and Packaging Optimizati