vtkVASPAnimationReader.h

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

  Program:   Visualization Toolkit
  Module:    vtkVASPAnimationReader.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 vtkVASPAnimationReader_h
#define vtkVASPAnimationReader_h

#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkMoleculeAlgorithm.h"
#include "vtkVector.h" // For vtkVector3f

namespace vtksys
{
class RegularExpression;
}

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


  vtkSetStringMacro(FileName);
  vtkGetStringMacro(FileName);

protected:
  vtkVASPAnimationReader();
  ~vtkVASPAnimationReader() override;

  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
    vtkInformationVector* outInfoVec) override;
  int RequestInformation(vtkInformation* request, vtkInformationVector** inInfoVecs,
    vtkInformationVector* outInfoVec) override;

  bool NextTimeStep(std::istream& in, double& time);

  size_t SelectTimeStepIndex(vtkInformation* info);

  bool ReadMolecule(std::istream& in, vtkMolecule* molecule);

  char* FileName;

  vtksys::RegularExpression* TimeParser;
  vtksys::RegularExpression* LatticeParser;
  vtksys::RegularExpression* AtomCountParser;
  vtksys::RegularExpression* AtomParser;

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

#endif // vtkVASPAnimationReader_h