VTK  9.3.1
vtkXYZMolReader2.h
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1 // SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
2 // SPDX-License-Identifier: BSD-3-Clause
17 #ifndef vtkXYZMolReader2_h
18 #define vtkXYZMolReader2_h
19 
20 #include "vtkIOChemistryModule.h" // For export macro
21 #include "vtkMoleculeAlgorithm.h"
22 
23 #include <istream> // for std::istream
24 #include <vector> // for std::vector
25 
26 VTK_ABI_NAMESPACE_BEGIN
27 class vtkMolecule;
28 
29 class VTKIOCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
30 {
31 public:
32  static vtkXYZMolReader2* New();
34  void PrintSelf(ostream& os, vtkIndent indent) override;
35 
37 
41  void SetOutput(vtkMolecule*) override;
43 
45 
48  vtkSetStdStringFromCharMacro(FileName);
49  vtkGetCharFromStdStringMacro(FileName);
51 
52 protected:
54  ~vtkXYZMolReader2() override = default;
55 
58 
60  std::vector<istream::pos_type> FilePositions; // to store beginning of each step
61  std::vector<double> TimeSteps;
62 
63 private:
64  vtkXYZMolReader2(const vtkXYZMolReader2&) = delete;
65  void operator=(const vtkXYZMolReader2&) = delete;
66 };
67 
68 VTK_ABI_NAMESPACE_END
69 #endif
std::vector< double > TimeSteps
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)
virtual void SetOutput(vtkMolecule *d)
Get the output data object for a port on this algorithm.
Superclass for algorithms that operate on vtkMolecules.
std::vector< istream::pos_type > FilePositions
a simple class to control print indentation
Definition: vtkIndent.h:28
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
std::string FileName
Store zero or more vtkInformation instances.
vtkMolecule * GetOutput()
Get the output data object for a port on this algorithm.
read Molecular Data files