VTK  9.1.0
vtkSimpleBondPerceiver.h
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1/*=========================================================================
2
3 Program: Visualization Toolkit
4 Module: vtkSimpleBondPerceiver.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=========================================================================*/
34#ifndef vtkSimpleBondPerceiver_h
35#define vtkSimpleBondPerceiver_h
36
37#include "vtkDomainsChemistryModule.h" // For export macro
39
40class vtkDataSet;
41class vtkMolecule;
43
44class VTKDOMAINSCHEMISTRY_EXPORT vtkSimpleBondPerceiver : public vtkMoleculeAlgorithm
45{
46public:
49 void PrintSelf(ostream& os, vtkIndent indent) override;
50
52
55 vtkSetMacro(Tolerance, float);
56 vtkGetMacro(Tolerance, float);
58
60
64 vtkGetMacro(IsToleranceAbsolute, bool);
65 vtkSetMacro(IsToleranceAbsolute, bool);
67
68protected:
71
72 int RequestData(vtkInformation* request, vtkInformationVector** inputVector,
73 vtkInformationVector* outputVector) override;
74
78 virtual void ComputeBonds(vtkMolecule* molecule);
79
86
87 float Tolerance;
89
90private:
92 void operator=(const vtkSimpleBondPerceiver&) = delete;
93};
94
95#endif
abstract class to specify dataset behavior
Definition: vtkDataSet.h:166
a simple class to control print indentation
Definition: vtkIndent.h:113
Store zero or more vtkInformation instances.
Store vtkAlgorithm input/output information.
Superclass for algorithms that operate on vtkMolecules.
class describing a molecule
Definition: vtkMolecule.h:111
Access to information about the elements.
Create a simple guess of a molecule's topology.
int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector) override
This is called by the superclass.
static vtkSimpleBondPerceiver * New()
double GetCovalentRadiusWithTolerance(vtkPeriodicTable *table, vtkIdType atomicNumber)
Get the covalent radius corresponding to atomic number, modulated by Tolerance.
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
virtual void ComputeBonds(vtkMolecule *molecule)
Compute the bonds of input molecule.
~vtkSimpleBondPerceiver() override
int vtkIdType
Definition: vtkType.h:332