Molassembler  1.0.0
Molecule graph and conformer library
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Scine::Molassembler::Shapes::Properties::ShapeTransitionGroup Struct Reference

A grouping of index mappings of equal angular and chiral distortion. More...

#include <Properties.h>

Public Member Functions

 ShapeTransitionGroup (std::vector< std::vector< Vertex > > passIndexMappings, double passAngleDistortion, double passChiralDistortion)
 

Data Fields

std::vector< std::vector
< Vertex > > 
indexMappings
 A list of index mappings that share the same angularDistortion and chiralDistortion.
 
double angularDistortion
 
double chiralDistortion
 

Detailed Description

A grouping of index mappings of equal angular and chiral distortion.


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