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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <cstddef>#include <Numerics/SquareMatrix.h>#include <RDGeneral/Invariant.h>#include <iterator>#include <optional>#include <variant>#include "ZMatrixUtils.h"Go to the source code of this file.
Classes | |
| class | DistGeom::ZMatrix |
| struct | DistGeom::ZMatrix::InternalCoordinateReference |
| struct | DistGeom::ZMatrix::TorsionDependence |
| struct | DistGeom::ZMatrix::ZMatrixRow |
| class | DistGeom::ZMatrix::Iterator |
Namespaces | |
| namespace | DistGeom |
Typedefs | |
| typedef std::shared_ptr< ZMatrix > | DistGeom::ZMatPtr |
Functions | |
| template<typename T> | |
| std::ostream & | DistGeom::operator<< (std::ostream &os, const std::optional< T > &opt) |
| Class to store Z-Matrix. | |
| std::ostream & | DistGeom::operator<< (std::ostream &os, const ZMatrix &zmat) |