RDKit
Open-source cheminformatics and machine learning.
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ZMatrix.h File Reference
#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)