VTK
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 
27 #ifndef vtkVASPAnimationReader_h
28 #define vtkVASPAnimationReader_h
29 
30 #include "vtkDomainsChemistryModule.h" // For export macro
31 #include "vtkMoleculeAlgorithm.h"
32 #include "vtkVector.h" // For vtkVector3f
33 
34 namespace vtksys {
35 class RegularExpression;
36 }
37 
38 class VTKDOMAINSCHEMISTRY_EXPORT vtkVASPAnimationReader:
40 {
41 public:
42  static vtkVASPAnimationReader* New();
44  void PrintSelf(ostream &os, vtkIndent indent) override;
45 
47 
50  vtkSetStringMacro(FileName)
51  vtkGetStringMacro(FileName)
53 
54 protected:
56  ~vtkVASPAnimationReader() override;
57 
58  int RequestData(vtkInformation *request,
59  vtkInformationVector **inInfoVecs,
60  vtkInformationVector *outInfoVec) override;
62  vtkInformationVector **inInfoVecs,
63  vtkInformationVector *outInfoVec) override;
64 
71  bool NextTimeStep(std::istream &in, double &time);
72 
79  size_t SelectTimeStepIndex(vtkInformation *info);
80 
81  bool ReadMolecule(std::istream &in, vtkMolecule *molecule);
82 
83  char *FileName;
84 
85  vtksys::RegularExpression *TimeParser;
86  vtksys::RegularExpression *LatticeParser;
87  vtksys::RegularExpression *AtomCountParser;
88  vtksys::RegularExpression *AtomParser;
89 
90 private:
92  void operator=(const vtkVASPAnimationReader&) = delete;
93 };
94 
95 #endif // vtkVASPAnimationReader_h
vtkMoleculeAlgorithm
Superclass for algorithms that operate on vtkMolecules.
Definition: vtkMoleculeAlgorithm.h:42
vtkVASPAnimationReader::FileName
char * FileName
Definition: vtkVASPAnimationReader.h:83
vtkInformationVector
Store zero or more vtkInformation instances.
Definition: vtkInformationVector.h:41
vtkVector.h
vtkMoleculeAlgorithm::RequestData
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
vtkX3D::time
Definition: vtkX3D.h:497
vtkVASPAnimationReader::TimeParser
vtksys::RegularExpression * TimeParser
Definition: vtkVASPAnimationReader.h:85
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:88
vtksys
Definition: vtkVASPAnimationReader.h:34
vtkIndent
a simple class to control print indentation
Definition: vtkIndent.h:39
vtkVASPAnimationReader
Reader for VASP animation files.
Definition: vtkVASPAnimationReader.h:38
vtkMolecule
class describing a molecule
Definition: vtkMolecule.h:94
vtkInformation
Store vtkAlgorithm input/output information.
Definition: vtkInformation.h:86
vtkX3D::info
Definition: vtkX3D.h:376
vtkMoleculeAlgorithm::RequestInformation
virtual int RequestInformation(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
vtkMoleculeAlgorithm::New
static vtkMoleculeAlgorithm * New()
vtkVASPAnimationReader::LatticeParser
vtksys::RegularExpression * LatticeParser
Definition: vtkVASPAnimationReader.h:86
vtkVASPAnimationReader::AtomCountParser
vtksys::RegularExpression * AtomCountParser
Definition: vtkVASPAnimationReader.h:87