vtkSimpleBondPerceiver.h

Go to the documentation of this file.

/*=========================================================================

  Program:   Visualization Toolkit
  Module:    vtkSimpleBondPerceiver.h

  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
  All rights reserved.
  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.

     This software is distributed WITHOUT ANY WARRANTY; without even
     the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
     PURPOSE.  See the above copyright notice for more information.

=========================================================================*/
#ifndef vtkSimpleBondPerceiver_h
#define vtkSimpleBondPerceiver_h

#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkMoleculeAlgorithm.h"

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;
};

#endif