VTK  9.0.1
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:
54  ~vtkVASPTessellationReader() override;
55 
56  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
57  vtkInformationVector* outInfoVec) override;
58  int RequestInformation(vtkInformation* request, vtkInformationVector** inInfoVecs,
59  vtkInformationVector* outInfoVec) override;
61 
68  bool NextTimeStep(std::istream& in, double& time);
69 
76  size_t SelectTimeStepIndex(vtkInformation* info);
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
vtksys::RegularExpression * ParenExtract
vtksys::RegularExpression * AtomCountParser
Store vtkAlgorithm input/output information.
class describing a molecule
Definition: vtkMolecule.h:91
static vtkMoleculeAlgorithm * New()
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
virtual int RequestInformation(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
vtksys::RegularExpression * AtomParser
Superclass for algorithms that operate on vtkMolecules.
int FillOutputPortInformation(int port, vtkInformation *info) override
Fill the output port information objects for this algorithm.
a simple class to control print indentation
Definition: vtkIndent.h:33
dataset represents arbitrary combinations of all possible cell types
vtksys::RegularExpression * TimeParser
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
Store zero or more vtkInformation instances.
Read NPT_Z_TESSELLATE.out files.
vtksys::RegularExpression * LatticeParser