VTK  9.1.0
vtkBond.h
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1/*=========================================================================
2
3 Program: Visualization Toolkit
4 Module: vtkBond.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=========================================================================*/
21#ifndef vtkBond_h
22#define vtkBond_h
23
24#include "vtkAtom.h" // For vtkAtom
25#include "vtkCommonDataModelModule.h" // For export macro
26#include "vtkObject.h" // For macros, etc
27
28class vtkMolecule;
29
30class VTKCOMMONDATAMODEL_EXPORT vtkBond
31{
32public:
33 void PrintSelf(ostream& os, vtkIndent indent);
34
38 vtkIdType GetId() const;
39
43 vtkMolecule* GetMolecule();
44
46
52
54
63
67 unsigned short GetOrder();
68
75 double GetLength() const;
76
77protected:
78 friend class vtkMolecule;
79
80 vtkBond(vtkMolecule* parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId);
81
86};
87
89{
90 return this->Id;
91}
92
94{
95 return this->Molecule;
96}
97
98#endif
99// VTK-HeaderTest-Exclude: vtkBond.h
convenience proxy for vtkMolecule
Definition: vtkAtom.h:32
convenience proxy for vtkMolecule
Definition: vtkBond.h:31
vtkIdType EndAtomId
Definition: vtkBond.h:85
vtkIdType GetEndAtomId() const
Get the starting / ending atom ids for this bond.
vtkAtom GetEndAtom() const
Get a vtkAtom object that refers to the starting / ending atom for this bond.
vtkMolecule * Molecule
Definition: vtkBond.h:82
unsigned short GetOrder()
Get the bond order for this bond.
vtkIdType GetId() const
Return the Id used to identify this bond in the parent molecule.
Definition: vtkBond.h:88
vtkAtom GetBeginAtom() const
Get a vtkAtom object that refers to the starting / ending atom for this bond.
vtkMolecule * GetMolecule()
Return the parent molecule of this bond.
Definition: vtkBond.h:93
vtkIdType GetBeginAtomId() const
Get the starting / ending atom ids for this bond.
void PrintSelf(ostream &os, vtkIndent indent)
vtkAtom GetEndAtom()
Get a vtkAtom object that refers to the starting / ending atom for this bond.
vtkIdType BeginAtomId
Definition: vtkBond.h:84
vtkIdType Id
Definition: vtkBond.h:83
vtkAtom GetBeginAtom()
Get a vtkAtom object that refers to the starting / ending atom for this bond.
vtkBond(vtkMolecule *parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId)
double GetLength() const
Get the distance between the bonded atoms.
a simple class to control print indentation
Definition: vtkIndent.h:113
class describing a molecule
Definition: vtkMolecule.h:111
int vtkIdType
Definition: vtkType.h:332