vtkPointSetToMoleculeFilter.h

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/*=========================================================================
 
  Program:   Visualization Toolkit
  Module:    vtkPointSetToMoleculeFilter.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.
 
=========================================================================*/
/*
 * @class vtkPointSetToMoleculeFilter
 * @brief Converts a pointset into a molecule.
 *
 * vtkPointSetToMoleculeFilter is a filter that takes a vtkPointSet as input
 * and generates a vtkMolecule.
 * Each point of the given vtkPointSet will become an atom of the vtkMolecule.
 * The vtkPointSet should provide a point data array (default is scalar one)
 * to specify the atomic number of each atom.
 */
 
#ifndef vtkPointSetToMoleculeFilter_h
#define vtkPointSetToMoleculeFilter_h
 
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkMoleculeAlgorithm.h"
 
class VTKDOMAINSCHEMISTRY_EXPORT vtkPointSetToMoleculeFilter : public vtkMoleculeAlgorithm
{
public:
  static vtkPointSetToMoleculeFilter* New();
  vtkTypeMacro(vtkPointSetToMoleculeFilter, vtkMoleculeAlgorithm);
  void PrintSelf(ostream& os, vtkIndent indent) override;
 
 
  vtkGetMacro(ConvertLinesIntoBonds, bool);
  vtkSetMacro(ConvertLinesIntoBonds, bool);
  vtkBooleanMacro(ConvertLinesIntoBonds, bool);
 
protected:
  vtkPointSetToMoleculeFilter();
  ~vtkPointSetToMoleculeFilter() override = default;
 
  int FillInputPortInformation(int port, vtkInformation* info) override;
 
  int RequestData(vtkInformation*, vtkInformationVector**, vtkInformationVector*) override;
 
  bool ConvertLinesIntoBonds;
 
private:
  vtkPointSetToMoleculeFilter(const vtkPointSetToMoleculeFilter&) = delete;
  void operator=(const vtkPointSetToMoleculeFilter&) = delete;
};
 
#endif