VTK  9.1.0
vtkXYZMolReader2.h
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1/*=========================================================================
2
3 Program: Visualization Toolkit
4 Module: vtkXYZMolReader2.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=========================================================================*/
26#ifndef vtkXYZMolReader2_h
27#define vtkXYZMolReader2_h
28
29#include "vtkIOChemistryModule.h" // For export macro
31
32#include <istream> // for std::istream
33#include <vector> // for std::vector
34
35class vtkMolecule;
36
37class VTKIOCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
38{
39public:
42 void PrintSelf(ostream& os, vtkIndent indent) override;
43
45
49 void SetOutput(vtkMolecule*) override;
51
53
59
60protected:
62 ~vtkXYZMolReader2() override = default;
63
66
67 std::string FileName = "";
68 std::vector<istream::pos_type> FilePositions; // to store beginning of each step
69 std::vector<double> TimeSteps;
70
71private:
72 vtkXYZMolReader2(const vtkXYZMolReader2&) = delete;
73 void operator=(const vtkXYZMolReader2&) = delete;
74};
75
76#endif
a simple class to control print indentation
Definition: vtkIndent.h:113
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:111
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.