vtkXYZMolReader2.h

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

  Program:   Visualization Toolkit
  Module:    vtkXYZMolReader2.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 vtkXYZMolReader2_h
#define vtkXYZMolReader2_h

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

#include <vector>   // for std::vector
#include <istream>  // for std::istream

class vtkMolecule;

class VTKDOMAINSCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
{
public:
  static vtkXYZMolReader2 *New();
  vtkTypeMacro(vtkXYZMolReader2,vtkMoleculeAlgorithm);
  void PrintSelf(ostream& os, vtkIndent indent) override;


  vtkMolecule *GetOutput();
  void SetOutput(vtkMolecule *) override;


  vtkSetStringMacro(FileName);
  vtkGetStringMacro(FileName);

protected:
  vtkXYZMolReader2();
  ~vtkXYZMolReader2() override;

  int RequestData(vtkInformation *, vtkInformationVector **,
                  vtkInformationVector *) override;
  int RequestInformation(vtkInformation *, vtkInformationVector **,
                  vtkInformationVector *) override;

  char *FileName;
  std::vector<istream::pos_type> file_positions; // to store beginning of each tstep
  std::vector<double> TimeSteps;

  int NumberOfTimeSteps;
  int NumberOfAtoms;

private:
  vtkXYZMolReader2(const vtkXYZMolReader2&) = delete;
  void operator=(const vtkXYZMolReader2&) = delete;
};

#endif