vtkVASPTessellationReader.h

Go to the documentation of this file.

// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
// SPDX-License-Identifier: BSD-3-Clause
 
#ifndef vtkVASPTessellationReader_h
#define vtkVASPTessellationReader_h
 
#include "vtkIOChemistryModule.h" // For export macro
#include "vtkMoleculeAlgorithm.h"
 
namespace vtksys
{
class RegularExpression;
}
 
VTK_ABI_NAMESPACE_BEGIN
 
class vtkUnstructuredGrid;
 
class VTKIOCHEMISTRY_EXPORT vtkVASPTessellationReader : public vtkMoleculeAlgorithm
{
public:
  static vtkVASPTessellationReader* New();
  vtkTypeMacro(vtkVASPTessellationReader, vtkMoleculeAlgorithm);
  void PrintSelf(ostream& os, vtkIndent indent) override;
 
 
  vtkSetFilePathMacro(FileName);
  vtkGetFilePathMacro(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;
};
 
VTK_ABI_NAMESPACE_END
#endif // vtkVASPTessellationReader_h