/*========================================================================= 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. =========================================================================*/ /** * @class vtkVASPTessellationReader * @brief Read NPT_Z_TESSELLATE.out files. * * * Read NPT_Z_TESSELLATE.out files from VASP. */ #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; //@{ /** * The name of the file to read. */ 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; /** * Advance @a in to the start of the data for the next timestep. Parses the * "time = X" line, sets @a time to the timestamp, and returns true on * success. Returning false means either EOF was reached, or the timestamp * line could not be parsed. */ bool NextTimeStep(std::istream& in, double& time); /** * Called by RequestData to determine which timestep to read. If both * UPDATE_TIME_STEP and TIME_STEPS are defined, return the index of the * timestep in TIME_STEPS closest to UPDATE_TIME_STEP. If either is undefined, * return 0. */ 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