vtkVASPTessellationReader.h

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/*=========================================================================
 
  Program:   Visualization Toolkit
  Module:    vtkVASPTessellationReader.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 vtkVASPTessellationReader_h
#define vtkVASPTessellationReader_h
 
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkMoleculeAlgorithm.h"
 
namespace vtksys
{
class RegularExpression;
}
 
class vtkUnstructuredGrid;
 
class VTKDOMAINSCHEMISTRY_EXPORT vtkVASPTessellationReader : public vtkMoleculeAlgorithm
{
public:
  static vtkVASPTessellationReader* New();
  vtkTypeMacro(vtkVASPTessellationReader, vtkMoleculeAlgorithm);
  void PrintSelf(ostream& os, vtkIndent indent) override;
 
 
  vtkSetStringMacro(FileName);
  vtkGetStringMacro(FileName);
 
protected:
  vtkVASPTessellationReader();
  ~vtkVASPTessellationReader() override;
 
  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
    vtkInformationVector* outInfoVec) override;
  int RequestInformation(vtkInformation* request, vtkInformationVector** inInfoVecs,
    vtkInformationVector* outInfoVec) override;
  int FillOutputPortInformation(int port, vtkInformation* info) override;
 
  bool NextTimeStep(std::istream& in, double& time);
 
  size_t SelectTimeStepIndex(vtkInformation* info);
 
  bool ReadTimeStep(std::istream& in, vtkMolecule* molecule, vtkUnstructuredGrid* voronoi);
 
  char* FileName;
 
  vtksys::RegularExpression* TimeParser;
  vtksys::RegularExpression* LatticeParser;
  vtksys::RegularExpression* AtomCountParser;
  vtksys::RegularExpression* AtomParser;
  vtksys::RegularExpression* ParenExtract;
 
private:
  vtkVASPTessellationReader(const vtkVASPTessellationReader&) = delete;
  void operator=(const vtkVASPTessellationReader&) = delete;
};
 
#endif // vtkVASPTessellationReader_h