vtkSimpleBondPerceiver.h

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// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
// SPDX-License-Identifier: BSD-3-Clause
#ifndef vtkSimpleBondPerceiver_h
#define vtkSimpleBondPerceiver_h
 
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkMoleculeAlgorithm.h"
 
VTK_ABI_NAMESPACE_BEGIN
class vtkDataSet;
class vtkMolecule;
class vtkPeriodicTable;
 
class VTKDOMAINSCHEMISTRY_EXPORT vtkSimpleBondPerceiver : public vtkMoleculeAlgorithm
{
public:
  static vtkSimpleBondPerceiver* New();
  vtkTypeMacro(vtkSimpleBondPerceiver, vtkMoleculeAlgorithm);
  void PrintSelf(ostream& os, vtkIndent indent) override;
 
 
  vtkSetMacro(Tolerance, float);
  vtkGetMacro(Tolerance, float);
 
 
  vtkGetMacro(IsToleranceAbsolute, bool);
  vtkSetMacro(IsToleranceAbsolute, bool);
 
protected:
  vtkSimpleBondPerceiver();
  ~vtkSimpleBondPerceiver() override;
 
  int RequestData(vtkInformation* request, vtkInformationVector** inputVector,
    vtkInformationVector* outputVector) override;
 
  virtual void ComputeBonds(vtkMolecule* molecule);
 
  double GetCovalentRadiusWithTolerance(vtkPeriodicTable* table, vtkIdType atomicNumber);
 
  float Tolerance;
  bool IsToleranceAbsolute;
 
private:
  vtkSimpleBondPerceiver(const vtkSimpleBondPerceiver&) = delete;
  void operator=(const vtkSimpleBondPerceiver&) = delete;
};
 
VTK_ABI_NAMESPACE_END
#endif