Molassembler  1.0.0
Molecule graph and conformer library
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Public Types | Public Member Functions | Data Fields | Static Public Attributes
Scine::Molassembler::Shapes::ConstexprProperties::MappingsReturnType Struct Reference

Data struct to collect the results of calculating the ideal index mappings between pairs of indices. More...

#include <Properties.h>

Public Types

using MappingsList = Temple::DynamicSet< Temple::DynamicArray< unsigned, maxShapeSize >, maxMappingsSize >
 

Public Member Functions

constexpr MappingsReturnType (MappingsList &&passMappings, double &&passAngularDistortion, double &&passChiralDistortion)
 
constexpr bool operator== (const MappingsReturnType &other) const
 Lexicographical equivalence.
 
constexpr bool operator< (const MappingsReturnType &other) const
 Lexicographical ordering.
 

Data Fields

MappingsList mappings
 
double angularDistortion
 
double chiralDistortion
 

Static Public Attributes

static constexpr size_t maxMappingsSize = 50
 

Detailed Description

Data struct to collect the results of calculating the ideal index mappings between pairs of indices.

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