VTK  9.0.1
vtkVASPAnimationReader.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkVASPAnimationReader.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 vtkVASPAnimationReader_h
25 #define vtkVASPAnimationReader_h
26 
27 #include "vtkDomainsChemistryModule.h" // For export macro
28 #include "vtkMoleculeAlgorithm.h"
29 #include "vtkVector.h" // For vtkVector3f
30 
31 namespace vtksys
32 {
33 class RegularExpression;
34 }
35 
36 class VTKDOMAINSCHEMISTRY_EXPORT vtkVASPAnimationReader : public vtkMoleculeAlgorithm
37 {
38 public:
39  static vtkVASPAnimationReader* New();
41  void PrintSelf(ostream& os, vtkIndent indent) override;
42 
44 
47  vtkSetStringMacro(FileName);
48  vtkGetStringMacro(FileName);
50 
51 protected:
53  ~vtkVASPAnimationReader() override;
54 
55  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
56  vtkInformationVector* outInfoVec) override;
57  int RequestInformation(vtkInformation* request, vtkInformationVector** inInfoVecs,
58  vtkInformationVector* outInfoVec) override;
59 
66  bool NextTimeStep(std::istream& in, double& time);
67 
74  size_t SelectTimeStepIndex(vtkInformation* info);
75 
76  bool ReadMolecule(std::istream& in, vtkMolecule* molecule);
77 
78  char* FileName;
79 
80  vtksys::RegularExpression* TimeParser;
81  vtksys::RegularExpression* LatticeParser;
82  vtksys::RegularExpression* AtomCountParser;
83  vtksys::RegularExpression* AtomParser;
84 
85 private:
87  void operator=(const vtkVASPAnimationReader&) = delete;
88 };
89 
90 #endif // vtkVASPAnimationReader_h
vtkMoleculeAlgorithm
Superclass for algorithms that operate on vtkMolecules.
Definition: vtkMoleculeAlgorithm.h:42
vtkVASPAnimationReader::FileName
char * FileName
Definition: vtkVASPAnimationReader.h:78
vtkInformationVector
Store zero or more vtkInformation instances.
Definition: vtkInformationVector.h:35
vtkVector.h
vtkMoleculeAlgorithm::RequestData
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
vtkX3D::time
@ time
Definition: vtkX3D.h:503
vtkVASPAnimationReader::TimeParser
vtksys::RegularExpression * TimeParser
Definition: vtkVASPAnimationReader.h:80
vtkMoleculeAlgorithm.h
vtkMoleculeAlgorithm::PrintSelf
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtkVASPAnimationReader::AtomParser
vtksys::RegularExpression * AtomParser
Definition: vtkVASPAnimationReader.h:83
vtksys
Definition: vtkVASPAnimationReader.h:31
vtkIndent
a simple class to control print indentation
Definition: vtkIndent.h:33
vtkVASPAnimationReader
Reader for VASP animation files.
Definition: vtkVASPAnimationReader.h:36
vtkMolecule
class describing a molecule
Definition: vtkMolecule.h:91
vtkInformation
Store vtkAlgorithm input/output information.
Definition: vtkInformation.h:73
vtkX3D::info
@ info
Definition: vtkX3D.h:382
vtkMoleculeAlgorithm::RequestInformation
virtual int RequestInformation(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
vtkMoleculeAlgorithm::New
static vtkMoleculeAlgorithm * New()
vtkVASPAnimationReader::LatticeParser
vtksys::RegularExpression * LatticeParser
Definition: vtkVASPAnimationReader.h:81
vtkVASPAnimationReader::AtomCountParser
vtksys::RegularExpression * AtomCountParser
Definition: vtkVASPAnimationReader.h:82