Hi there I have used FindAutomorphisms function in python to caculate automorphisms as below:
automorphs = ob.vvpairUIntUInt() ob.FindAutomorphisms(self.mol.OBMol, automorphs, symclasses but my molecule is too big, so the variable automorphs needs a lot of ram. So I want using FindAutomorphisms in C++ like this: void FindAutomorphisms(OBIsomorphismMapper::Functor & *functor*,OBMol * *mol *,const std::vector< unsigned int > & *symmetry_classes*,const OBBitVec & * mask* = OBBitVec() ) My question is, how can I make a OBIsomorphismMapper::Functor in python to handle the automorphism every time? Thanks Hugh
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