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Open-source cheminformatics and machine learning.
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DistGeom::ZMatrix::ZMatrixRow Struct Reference

#include <ZMatrix.h>

Public Attributes

unsigned int atomIdx
const InternalCoordinateReference & internal
const std::optional< TorsionDependence > & torsionDependence

Detailed Description

Definition at line 59 of file ZMatrix.h.

Member Data Documentation

◆ atomIdx

unsigned int DistGeom::ZMatrix::ZMatrixRow::atomIdx

Definition at line 60 of file ZMatrix.h.

◆ internal

const InternalCoordinateReference& DistGeom::ZMatrix::ZMatrixRow::internal

Definition at line 61 of file ZMatrix.h.

◆ torsionDependence

const std::optional<TorsionDependence>& DistGeom::ZMatrix::ZMatrixRow::torsionDependence

Definition at line 62 of file ZMatrix.h.

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