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// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
// SPDX-License-Identifier: BSD-3-Clause
/**
* @class vtkAtom
* @brief convenience proxy for vtkMolecule
*
*/
#ifndef vtkAtom_h
#define vtkAtom_h
#include "vtkCommonDataModelModule.h" // For export macro
#include "vtkObject.h" // For macros, defines, etc
VTK_ABI_NAMESPACE_BEGIN
class vtkMolecule;
class vtkVector3d;
class vtkVector3f;
class VTKCOMMONDATAMODEL_EXPORT vtkAtom
{
public:
void PrintSelf(ostream& os, vtkIndent indent);
/**
* Return the Id used to identify this atom in the parent molecule.
*/
vtkIdType GetId() const;
/**
* Return the parent molecule of this atom.
*/
vtkMolecule* GetMolecule();
///@{
/**
* Get/Set the atomic number of this atom
*/
unsigned short GetAtomicNumber() const;
void SetAtomicNumber(unsigned short atomicNum);
///@}
///@{
/**
* Get/Set the position of this atom
*/
void GetPosition(float pos[3]) const;
void GetPosition(double pos[3]) const;
void SetPosition(const float pos[3]);
void SetPosition(float x, float y, float z);
vtkVector3f GetPosition() const;
void SetPosition(const vtkVector3f& pos);
///@}
protected:
friend class vtkMolecule;
vtkAtom(vtkMolecule* parent, vtkIdType id);
vtkMolecule* Molecule;
vtkIdType Id;
};
inline vtkIdType vtkAtom::GetId() const
{
return this->Id;
}
inline vtkMolecule* vtkAtom::GetMolecule()
{
return this->Molecule;
}
VTK_ABI_NAMESPACE_END
#endif
// VTK-HeaderTest-Exclude: vtkAtom.h
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