VTK
vtkAtom.h
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1/*=========================================================================
2
3 Program: Visualization Toolkit
4 Module: vtkAtom.h
5
6 Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7 All rights reserved.
8 See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9
10 This software is distributed WITHOUT ANY WARRANTY; without even
11 the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12 PURPOSE. See the above copyright notice for more information.
13
14=========================================================================*/
24#ifndef vtkAtom_h
25#define vtkAtom_h
26
27#include "vtkCommonDataModelModule.h" // For export macro
28#include "vtkObject.h" // For macros, defines, etc
29
30class vtkMolecule;
31class vtkVector3d;
32class vtkVector3f;
33
34class VTKCOMMONDATAMODEL_EXPORT vtkAtom
35{
36 public:
37 void PrintSelf(ostream &os, vtkIndent indent);
38
42 vtkIdType GetId() const;
43
47 vtkMolecule * GetMolecule();
48
50
53 unsigned short GetAtomicNumber() const;
54 void SetAtomicNumber(unsigned short atomicNum);
56
58
61 void GetPosition(float pos[3]) const;
62 void GetPosition(double pos[3]) const;
63 void SetPosition(const float pos[3]);
64 void SetPosition(float x, float y, float z);
66 void SetPosition(const vtkVector3f &pos);
68
69 protected:
70 friend class vtkMolecule;
71
73
76};
77
79{
80 return this->Id;
81}
82
84{
85 return this->Molecule;
86}
87
88#endif
89// VTK-HeaderTest-Exclude: vtkAtom.h
convenience proxy for vtkMolecule
Definition: vtkAtom.h:35
vtkMolecule * GetMolecule()
Return the parent molecule of this atom.
Definition: vtkAtom.h:83
void GetPosition(double pos[3]) const
vtkIdType Id
Definition: vtkAtom.h:75
vtkAtom(vtkMolecule *parent, vtkIdType id)
void SetPosition(float x, float y, float z)
void PrintSelf(ostream &os, vtkIndent indent)
void GetPosition(float pos[3]) const
Get/Set the position of this atom.
vtkMolecule * Molecule
Definition: vtkAtom.h:74
unsigned short GetAtomicNumber() const
Get/Set the atomic number of this atom.
void SetPosition(const vtkVector3f &pos)
void SetPosition(const float pos[3])
void SetAtomicNumber(unsigned short atomicNum)
vtkVector3f GetPosition() const
vtkIdType GetId() const
Return the Id used to identify this atom in the parent molecule.
Definition: vtkAtom.h:78
a simple class to control print indentation
Definition: vtkIndent.h:40
class describing a molecule
Definition: vtkMolecule.h:91
int vtkIdType
Definition: vtkType.h:287