VTK  9.3.20240302
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 
19 VTK_ABI_NAMESPACE_BEGIN
20 class vtkMolecule;
21 
22 class VTKCOMMONDATAMODEL_EXPORT vtkBond
23 {
24 public:
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 
69 protected:
70  friend class vtkMolecule;
71 
72  vtkBond(vtkMolecule* parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId);
73 
78 };
79 
80 inline vtkIdType vtkBond::GetId() const
81 {
82  return this->Id;
83 }
84 
86 {
87  return this->Molecule;
88 }
89 
90 VTK_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