/*========================================================================= 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. =========================================================================*/ /** * @class vtkVASPAnimationReader * @brief Reader for VASP animation files. * * * Reads VASP animation files (e.g. NPT_Z_ANIMATE.out). */ #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; //@{ /** * The name of the file to read. */ 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; /** * 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 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