DistGeom::ZMatrix::InternalCoordinateReference Struct Reference

#include <ZMatrix.h>

Public Attributes
std::optional< double >	length
std::optional< unsigned int >	bondRef
std::optional< double >	angle
std::optional< unsigned int >	angleRef
std::optional< TorsionCandidates >	torsion
std::optional< unsigned int >	torsionRef

Detailed Description

Definition at line 45 of file ZMatrix.h.

Member Data Documentation

angle

std::optional<double> DistGeom::ZMatrix::InternalCoordinateReference::angle

Definition at line 48 of file ZMatrix.h.

angleRef

std::optional<unsigned int> DistGeom::ZMatrix::InternalCoordinateReference::angleRef

Definition at line 49 of file ZMatrix.h.

bondRef

std::optional<unsigned int> DistGeom::ZMatrix::InternalCoordinateReference::bondRef

Definition at line 47 of file ZMatrix.h.

length

std::optional<double> DistGeom::ZMatrix::InternalCoordinateReference::length

Definition at line 46 of file ZMatrix.h.

torsion

std::optional<TorsionCandidates> DistGeom::ZMatrix::InternalCoordinateReference::torsion

Definition at line 50 of file ZMatrix.h.

torsionRef

std::optional<unsigned int> DistGeom::ZMatrix::InternalCoordinateReference::torsionRef

Definition at line 51 of file ZMatrix.h.

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

• ZMatrix.h