VTK  9.3.0
vtkVASPTessellationReader.h
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1 // SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
2 // SPDX-License-Identifier: BSD-3-Clause
3 
15 #ifndef vtkVASPTessellationReader_h
16 #define vtkVASPTessellationReader_h
17 
18 #include "vtkIOChemistryModule.h" // For export macro
19 #include "vtkMoleculeAlgorithm.h"
20 
21 namespace vtksys
22 {
23 class RegularExpression;
24 }
25 
26 VTK_ABI_NAMESPACE_BEGIN
27 
29 
30 class VTKIOCHEMISTRY_EXPORT vtkVASPTessellationReader : public vtkMoleculeAlgorithm
31 {
32 public:
35  void PrintSelf(ostream& os, vtkIndent indent) override;
36 
38 
44 
45 protected:
48 
49  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
50  vtkInformationVector* outInfoVec) override;
52  vtkInformationVector* outInfoVec) override;
54 
61  bool NextTimeStep(std::istream& in, double& time);
62 
70 
71  bool ReadTimeStep(std::istream& in, vtkMolecule* molecule, vtkUnstructuredGrid* voronoi);
72 
73  char* FileName;
74 
75  vtksys::RegularExpression* TimeParser;
76  vtksys::RegularExpression* LatticeParser;
77  vtksys::RegularExpression* AtomCountParser;
78  vtksys::RegularExpression* AtomParser;
79  vtksys::RegularExpression* ParenExtract;
80 
81 private:
83  void operator=(const vtkVASPTessellationReader&) = delete;
84 };
85 
86 VTK_ABI_NAMESPACE_END
87 #endif // vtkVASPTessellationReader_h
a simple class to control print indentation
Definition: vtkIndent.h:38
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
dataset represents arbitrary combinations of all possible cell types
Read NPT_Z_TESSELLATE.out files.
~vtkVASPTessellationReader() override
int RequestInformation(vtkInformation *request, vtkInformationVector **inInfoVecs, vtkInformationVector *outInfoVec) override
size_t SelectTimeStepIndex(vtkInformation *info)
Called by RequestData to determine which timestep to read.
bool NextTimeStep(std::istream &in, double &time)
Advance in to the start of the data for the next timestep.
vtkGetFilePathMacro(FileName)
The name of the file to read.
static vtkVASPTessellationReader * New()
vtksys::RegularExpression * LatticeParser
vtksys::RegularExpression * AtomCountParser
vtksys::RegularExpression * ParenExtract
bool ReadTimeStep(std::istream &in, vtkMolecule *molecule, vtkUnstructuredGrid *voronoi)
int FillOutputPortInformation(int port, vtkInformation *info) override
Fill the output port information objects for this algorithm.
vtkSetFilePathMacro(FileName)
The name of the file to read.
int RequestData(vtkInformation *request, vtkInformationVector **inInfoVecs, vtkInformationVector *outInfoVec) override
This is called by the superclass.
vtksys::RegularExpression * TimeParser
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtksys::RegularExpression * AtomParser
@ info
Definition: vtkX3D.h:376
@ port
Definition: vtkX3D.h:447
@ time
Definition: vtkX3D.h:497