VTK  9.3.20240715
vtkVASPAnimationReader.h
Go to the documentation of this file.
1// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
2// SPDX-License-Identifier: BSD-3-Clause
3
15#ifndef vtkVASPAnimationReader_h
16#define vtkVASPAnimationReader_h
17
18#include "vtkIOChemistryModule.h" // For export macro
20#include "vtkVector.h" // For vtkVector3f
21
22namespace vtksys
23{
24class RegularExpression;
25}
26
27VTK_ABI_NAMESPACE_BEGIN
28
29class VTKIOCHEMISTRY_EXPORT vtkVASPAnimationReader : public vtkMoleculeAlgorithm
30{
31public:
34 void PrintSelf(ostream& os, vtkIndent indent) override;
35
37
43
44protected:
47
49 vtkInformationVector* outInfoVec) override;
51 vtkInformationVector* outInfoVec) override;
52
59 bool NextTimeStep(std::istream& in, double& time);
60
68
69 bool ReadMolecule(std::istream& in, vtkMolecule* molecule);
70
71 char* FileName;
72
73 vtksys::RegularExpression* TimeParser;
74 vtksys::RegularExpression* LatticeParser;
75 vtksys::RegularExpression* AtomCountParser;
76 vtksys::RegularExpression* AtomParser;
77
78private:
80 void operator=(const vtkVASPAnimationReader&) = delete;
81};
82
83VTK_ABI_NAMESPACE_END
84#endif // vtkVASPAnimationReader_h
a simple class to control print indentation
Definition vtkIndent.h:108
Store zero or more vtkInformation instances.
Store vtkAlgorithm input/output information.
Superclass for algorithms that operate on vtkMolecules.
class describing a molecule
Definition vtkMolecule.h:84
Reader for VASP animation files.
int RequestData(vtkInformation *request, vtkInformationVector **inInfoVecs, vtkInformationVector *outInfoVec) override
This is called by the superclass.
static vtkVASPAnimationReader * New()
int RequestInformation(vtkInformation *request, vtkInformationVector **inInfoVecs, vtkInformationVector *outInfoVec) override
vtkGetFilePathMacro(FileName)
The name of the file to read.
vtksys::RegularExpression * LatticeParser
bool NextTimeStep(std::istream &in, double &time)
Advance in to the start of the data for the next timestep.
vtksys::RegularExpression * TimeParser
vtksys::RegularExpression * AtomCountParser
vtksys::RegularExpression * AtomParser
bool ReadMolecule(std::istream &in, vtkMolecule *molecule)
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
~vtkVASPAnimationReader() override
size_t SelectTimeStepIndex(vtkInformation *info)
Called by RequestData to determine which timestep to read.
vtkSetFilePathMacro(FileName)
The name of the file to read.