Helper class to represent the stereo configuration of a double bond as indicated in a SMILES string. More...
#include <SmilesBondStereo.h>
Public Member Functions | |
unsigned | findAssignment (BondStereopermutator stereopermutator, const Molecule &mol, const std::vector< PrivateGraph::Vertex > &indexInComponentMap) const |
Data Fields | |
boost::optional < PrivateGraph::Vertex > | left |
PrivateGraph::Vertex | right |
boost::optional < PrivateGraph::Vertex > | upOfLeft |
boost::optional < PrivateGraph::Vertex > | downOfLeft |
boost::optional < PrivateGraph::Vertex > | upOfRight |
boost::optional < PrivateGraph::Vertex > | downOfRight |
Helper class to represent the stereo configuration of a double bond as indicated in a SMILES string.