Scine::Molassembler::Stereopermutations::Composite::Permutation Struct Reference

Class representing a single rotational permutation. More...

#include <Composites.h>

Public Types
using	DihedralTuple = std::tuple< Shapes::Vertex, Shapes::Vertex, double >
using	VertexPair = std::pair< Shapes::Vertex, Shapes::Vertex >

Public Member Functions
bool	close (const std::vector< DihedralTuple > &comparisonDihedrals) const

Data Fields
VertexPair	alignedVertices
	Shape vertices aligned for this set of dihedrals.
Alignment	alignment
	Alignment used to generate this permutation.
std::vector< DihedralTuple >	dihedrals
	Set of dihedrals between all relevant vertices along the bond.
boost::optional< VertexPair >	rankingEquivalentTo
	Shape vertices this permutation is ranking equivalent to, if applicable.

Detailed Description

Class representing a single rotational permutation.

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

• Molassembler/Stereopermutation/Composites.h