Molassembler  3.0.0
Molecule graph and conformer library
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Scine::Molassembler::IO::SmilesBondStereo Struct Reference

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
 

Detailed Description

Helper class to represent the stereo configuration of a double bond as indicated in a SMILES string.


The documentation for this struct was generated from the following file: