VTK  9.3.20240421
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
22
23#include <istream> // for std::istream
24#include <vector> // for std::vector
25
26VTK_ABI_NAMESPACE_BEGIN
27class vtkMolecule;
28
29class VTKIOCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
30{
31public:
34 void PrintSelf(ostream& os, vtkIndent indent) override;
35
37
41 void SetOutput(vtkMolecule*) override;
43
45
51
52protected:
54 ~vtkXYZMolReader2() override = default;
55
58
59 std::string FileName;
60 std::vector<istream::pos_type> FilePositions; // to store beginning of each step
61 std::vector<double> TimeSteps;
62
63private:
64 vtkXYZMolReader2(const vtkXYZMolReader2&) = delete;
65 void operator=(const vtkXYZMolReader2&) = delete;
66};
67
68VTK_ABI_NAMESPACE_END
69#endif
a simple class to control print indentation
Definition vtkIndent.h:108
Store zero or more vtkInformation instances.
Store vtkAlgorithm input/output information.
Superclass for algorithms that operate on vtkMolecules.
class describing a molecule
Definition vtkMolecule.h:84
read Molecular Data files
static vtkXYZMolReader2 * New()
int RequestInformation(vtkInformation *, vtkInformationVector **, vtkInformationVector *) override
~vtkXYZMolReader2() override=default
std::vector< istream::pos_type > FilePositions
vtkSetStdStringFromCharMacro(FileName)
Get/Set the name of the XYZ Molecule file.
int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *) override
This is called by the superclass.
void SetOutput(vtkMolecule *) override
Get/Set the output (vtkMolecule) that the reader will fill.
vtkGetCharFromStdStringMacro(FileName)
Get/Set the name of the XYZ Molecule file.
vtkMolecule * GetOutput()
Get/Set the output (vtkMolecule) that the reader will fill.
std::vector< double > TimeSteps
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.