canon.h File Reference

#include <openbabel/bitvec.h>

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Namespaces
	OpenBabel

Functions
void	CanonicalLabels (OBMol *mol, const std::vector< unsigned int > &symmetry_classes, std::vector< unsigned int > &canonical_labels, const OBBitVec &mask=OBBitVec(), int maxSeconds=5, bool onlyOne=false)

Detailed Description

Canonical labeling.