1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
|
/*=========================================================================
Program: Visualization Toolkit
Module: vtkAtom.h
Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
All rights reserved.
See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
This software is distributed WITHOUT ANY WARRANTY; without even
the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
PURPOSE. See the above copyright notice for more information.
=========================================================================*/
/**
* @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
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;
}
#endif
// VTK-HeaderTest-Exclude: vtkAtom.h
|
