VTK  9.3.1
vtkVASPAnimationReader.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 vtkVASPAnimationReader_h
16 #define vtkVASPAnimationReader_h
17 
18 #include "vtkIOChemistryModule.h" // For export macro
19 #include "vtkMoleculeAlgorithm.h"
20 #include "vtkVector.h" // For vtkVector3f
21 
22 namespace vtksys
23 {
24 class RegularExpression;
25 }
26 
27 VTK_ABI_NAMESPACE_BEGIN
28 
29 class VTKIOCHEMISTRY_EXPORT vtkVASPAnimationReader : public vtkMoleculeAlgorithm
30 {
31 public:
32  static vtkVASPAnimationReader* New();
34  void PrintSelf(ostream& os, vtkIndent indent) override;
35 
37 
40  vtkSetFilePathMacro(FileName);
41  vtkGetFilePathMacro(FileName);
43 
44 protected:
46  ~vtkVASPAnimationReader() override;
47 
48  int RequestData(vtkInformation* request, vtkInformationVector** inInfoVecs,
49  vtkInformationVector* outInfoVec) override;
50  int RequestInformation(vtkInformation* request, vtkInformationVector** inInfoVecs,
51  vtkInformationVector* outInfoVec) override;
52 
59  bool NextTimeStep(std::istream& in, double& time);
60 
67  size_t SelectTimeStepIndex(vtkInformation* info);
68 
69  bool ReadMolecule(std::istream& in, vtkMolecule* molecule);
70 
71  char* FileName;
72 
73  vtksys::RegularExpression* TimeParser;
74  vtksys::RegularExpression* LatticeParser;
75  vtksys::RegularExpression* AtomCountParser;
76  vtksys::RegularExpression* AtomParser;
77 
78 private:
80  void operator=(const vtkVASPAnimationReader&) = delete;
81 };
82 
83 VTK_ABI_NAMESPACE_END
84 #endif // vtkVASPAnimationReader_h
Reader for VASP animation files.
Store vtkAlgorithm input/output information.
class describing a molecule
Definition: vtkMolecule.h:83
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)
Superclass for algorithms that operate on vtkMolecules.
vtksys::RegularExpression * LatticeParser
a simple class to control print indentation
Definition: vtkIndent.h:28
vtksys::RegularExpression * AtomCountParser
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
Store zero or more vtkInformation instances.
vtksys::RegularExpression * AtomParser
vtksys::RegularExpression * TimeParser