VTK  9.0.2
vtkVASPTessellationReader.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkVASPTessellationReader.h
5 
6  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7  All rights reserved.
8  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9 
10  This software is distributed WITHOUT ANY WARRANTY; without even
11  the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12  PURPOSE. See the above copyright notice for more information.
13 
14 =========================================================================*/
15 
24 #ifndef vtkVASPTessellationReader_h
25 #define vtkVASPTessellationReader_h
26 
27 #include "vtkDomainsChemistryModule.h" // For export macro
28 #include "vtkMoleculeAlgorithm.h"
29 
30 namespace vtksys
31 {
32 class RegularExpression;
33 }
34 
36 
37 class VTKDOMAINSCHEMISTRY_EXPORT vtkVASPTessellationReader : public vtkMoleculeAlgorithm
38 {
39 public:
42  void PrintSelf(ostream& os, vtkIndent indent) override;
43 
45 
48  vtkSetStringMacro(FileName);
49  vtkGetStringMacro(FileName);
51 
52 protected:
55 
56  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
57  vtkInformationVector* outInfoVec) override;
59  vtkInformationVector* outInfoVec) override;
61 
68  bool NextTimeStep(std::istream& in, double& time);
69 
77 
78  bool ReadTimeStep(std::istream& in, vtkMolecule* molecule, vtkUnstructuredGrid* voronoi);
79 
80  char* FileName;
81 
82  vtksys::RegularExpression* TimeParser;
83  vtksys::RegularExpression* LatticeParser;
84  vtksys::RegularExpression* AtomCountParser;
85  vtksys::RegularExpression* AtomParser;
86  vtksys::RegularExpression* ParenExtract;
87 
88 private:
90  void operator=(const vtkVASPTessellationReader&) = delete;
91 };
92 
93 #endif // vtkVASPTessellationReader_h
a simple class to control print indentation
Definition: vtkIndent.h:34
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:92
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.
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.
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:382
@ port
Definition: vtkX3D.h:453
@ time
Definition: vtkX3D.h:503