VTK  9.3.20240724
vtkBond.h
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1// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
2// SPDX-License-Identifier: BSD-3-Clause
12#ifndef vtkBond_h
13#define vtkBond_h
14
15#include "vtkAtom.h" // For vtkAtom
16#include "vtkCommonDataModelModule.h" // For export macro
17#include "vtkObject.h" // For macros, etc
18
19VTK_ABI_NAMESPACE_BEGIN
20class vtkMolecule;
21
22class VTKCOMMONDATAMODEL_EXPORT vtkBond
23{
24public:
25 void PrintSelf(ostream& os, vtkIndent indent);
26
30 vtkIdType GetId() const;
31
35 vtkMolecule* GetMolecule();
36
38
44
46
55
59 unsigned short GetOrder();
60
67 double GetLength() const;
68
69protected:
70 friend class vtkMolecule;
71
72 vtkBond(vtkMolecule* parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId);
73
78};
79
81{
82 return this->Id;
83}
84
86{
87 return this->Molecule;
88}
89
90VTK_ABI_NAMESPACE_END
91#endif
92// VTK-HeaderTest-Exclude: vtkBond.h
convenience proxy for vtkMolecule
Definition vtkAtom.h:24
convenience proxy for vtkMolecule
Definition vtkBond.h:23
vtkIdType EndAtomId
Definition vtkBond.h:77
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:74
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:80
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:85
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:76
vtkIdType Id
Definition vtkBond.h:75
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:108
class describing a molecule
Definition vtkMolecule.h:84
int vtkIdType
Definition vtkType.h:315