VTK  9.2.5
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 =========================================================================*/
24 #ifndef vtkBond_h
25 #define vtkBond_h
26 
27 #include "vtkAtom.h" // For vtkAtom
28 #include "vtkCommonDataModelModule.h" // For export macro
29 #include "vtkObject.h" // For macros, etc
30 
31 class vtkMolecule;
32 
33 class VTKCOMMONDATAMODEL_EXPORT vtkBond
34 {
35 public:
36  void PrintSelf(ostream& os, vtkIndent indent);
37 
41  vtkIdType GetId() const;
42 
46  vtkMolecule* GetMolecule();
47 
49 
55 
57 
66 
70  unsigned short GetOrder();
71 
78  double GetLength() const;
79 
80 protected:
81  friend class vtkMolecule;
82 
83  vtkBond(vtkMolecule* parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId);
84 
89 };
90 
91 inline vtkIdType vtkBond::GetId() const
92 {
93  return this->Id;
94 }
95 
97 {
98  return this->Molecule;
99 }
100 
101 #endif
102 // VTK-HeaderTest-Exclude: vtkBond.h
convenience proxy for vtkMolecule
Definition: vtkAtom.h:35
convenience proxy for vtkMolecule
Definition: vtkBond.h:34
vtkIdType EndAtomId
Definition: vtkBond.h:88
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:85
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:91
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:96
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:87
vtkIdType Id
Definition: vtkBond.h:86
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:119
class describing a molecule
Definition: vtkMolecule.h:114
int vtkIdType
Definition: vtkType.h:332