VTK
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 "vtkDomainsChemistryModule.h" // For export macro
30 #include "vtkMoleculeAlgorithm.h"
31 
32 #include <vector> // for std::vector
33 #include <istream> // for std::istream
34 
35 class vtkMolecule;
36 
37 class VTKDOMAINSCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
38 {
39 public:
40  static vtkXYZMolReader2 *New();
42  void PrintSelf(ostream& os, vtkIndent indent) override;
43 
45 
49  void SetOutput(vtkMolecule *) override;
51 
53 
56  vtkSetStringMacro(FileName);
57  vtkGetStringMacro(FileName);
59 
60 protected:
62  ~vtkXYZMolReader2() override;
63 
65  vtkInformationVector *) override;
67  vtkInformationVector *) override;
68 
69  char *FileName;
70  std::vector<istream::pos_type> file_positions; // to store beginning of each tstep
71  std::vector<double> TimeSteps;
72 
75 
76 private:
77  vtkXYZMolReader2(const vtkXYZMolReader2&) = delete;
78  void operator=(const vtkXYZMolReader2&) = delete;
79 };
80 
81 #endif
std::vector< double > TimeSteps
Store vtkAlgorithm input/output information.
class describing a molecule
Definition: vtkMolecule.h:87
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 > file_positions
a simple class to control print indentation
Definition: vtkIndent.h:33
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
Store zero or more vtkInformation instances.
vtkMolecule * GetOutput()
Get the output data object for a port on this algorithm.
read Molecular Data files