VTK: IO/Chemistry/vtkVASPTessellationReader.h Source File

| VTK 9.3.1

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
28 class vtkUnstructuredGrid;
29
30 class VTKIOCHEMISTRY_EXPORT vtkVASPTessellationReader : public vtkMoleculeAlgorithm
31 {
32 public:
33 static vtkVASPTessellationReader* New();
34 vtkTypeMacro(vtkVASPTessellationReader, vtkMoleculeAlgorithm);
35 void PrintSelf(ostream& os, vtkIndent indent) override;
36
38
41 vtkSetFilePathMacro(FileName);
42 vtkGetFilePathMacro(FileName);
44
45 protected:
46 vtkVASPTessellationReader();
47 ~vtkVASPTessellationReader() override;
48
49 int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
50 vtkInformationVector* outInfoVec) override;
51 int RequestInformation(vtkInformation* request, vtkInformationVector** inInfoVecs,
52 vtkInformationVector* outInfoVec) override;
53 int FillOutputPortInformation(int port, vtkInformation* info) override;
54
61 bool NextTimeStep(std::istream& in, double& time);
62
69 size_t SelectTimeStepIndex(vtkInformation* info);
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:
82 vtkVASPTessellationReader(const vtkVASPTessellationReader&) = delete;
83 void operator=(const vtkVASPTessellationReader&) = delete;
84 };
85
86 VTK_ABI_NAMESPACE_END
87 #endif // vtkVASPTessellationReader_h
vtkIndent
a simple class to control print indentation
Definition: vtkIndent.h:38
vtkInformationVector
Store zero or more vtkInformation instances.
Definition: vtkInformationVector.h:40
vtkInformation
Store vtkAlgorithm input/output information.
Definition: vtkInformation.h:72
vtkMoleculeAlgorithm
Superclass for algorithms that operate on vtkMolecules.
Definition: vtkMoleculeAlgorithm.h:32
vtkMolecule
class describing a molecule
Definition: vtkMolecule.h:84
vtkUnstructuredGrid
dataset represents arbitrary combinations of all possible cell types
Definition: vtkUnstructuredGrid.h:99
vtkVASPTessellationReader
Read NPT_Z_TESSELLATE.out files.
Definition: vtkVASPTessellationReader.h:31
vtkVASPTessellationReader::~vtkVASPTessellationReader
~vtkVASPTessellationReader() override
vtkVASPTessellationReader::RequestInformation
int RequestInformation(vtkInformation *request, vtkInformationVector **inInfoVecs, vtkInformationVector *outInfoVec) override
vtkVASPTessellationReader::SelectTimeStepIndex
size_t SelectTimeStepIndex(vtkInformation *info)
Called by RequestData to determine which timestep to read.
vtkVASPTessellationReader::NextTimeStep
bool NextTimeStep(std::istream &in, double &time)
Advance in to the start of the data for the next timestep.
vtkVASPTessellationReader::vtkGetFilePathMacro
vtkGetFilePathMacro(FileName)
The name of the file to read.
vtkVASPTessellationReader::vtkVASPTessellationReader
vtkVASPTessellationReader()
vtkVASPTessellationReader::New
static vtkVASPTessellationReader * New()
vtkVASPTessellationReader::LatticeParser
vtksys::RegularExpression * LatticeParser
Definition: vtkVASPTessellationReader.h:76
vtkVASPTessellationReader::AtomCountParser
vtksys::RegularExpression * AtomCountParser
Definition: vtkVASPTessellationReader.h:77
vtkVASPTessellationReader::ParenExtract
vtksys::RegularExpression * ParenExtract
Definition: vtkVASPTessellationReader.h:79
vtkVASPTessellationReader::ReadTimeStep
bool ReadTimeStep(std::istream &in, vtkMolecule *molecule, vtkUnstructuredGrid *voronoi)
vtkVASPTessellationReader::FileName
char * FileName
Definition: vtkVASPTessellationReader.h:73
vtkVASPTessellationReader::FillOutputPortInformation
int FillOutputPortInformation(int port, vtkInformation *info) override
Fill the output port information objects for this algorithm.
vtkVASPTessellationReader::vtkSetFilePathMacro
vtkSetFilePathMacro(FileName)
The name of the file to read.
vtkVASPTessellationReader::RequestData
int RequestData(vtkInformation *request, vtkInformationVector **inInfoVecs, vtkInformationVector *outInfoVec) override
This is called by the superclass.
vtkVASPTessellationReader::TimeParser
vtksys::RegularExpression * TimeParser
Definition: vtkVASPTessellationReader.h:75
vtkVASPTessellationReader::PrintSelf
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtkVASPTessellationReader::AtomParser
vtksys::RegularExpression * AtomParser
Definition: vtkVASPTessellationReader.h:78
vtkX3D::info
@ info
Definition: vtkX3D.h:376
vtkX3D::port
@ port
Definition: vtkX3D.h:447
vtkX3D::time
@ time
Definition: vtkX3D.h:497
vtksys
Definition: vtkVASPAnimationReader.h:23
vtkMoleculeAlgorithm.h