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