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 =========================================================================*/
29 #ifndef vtkXYZMolReader2_h
30 #define vtkXYZMolReader2_h
31 
32 #include "vtkDomainsChemistryModule.h" // For export macro
33 #include "vtkMoleculeAlgorithm.h"
34 
35 #include <vector>
36 #include <fstream>
37 #include <iostream>
38 
39 class vtkMolecule;
40 
41 class VTKDOMAINSCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
42 {
43 public:
44  static vtkXYZMolReader2 *New();
46  void PrintSelf(ostream& os, vtkIndent indent);
47 
49 
53  void SetOutput(vtkMolecule *);
55 
57 
60  vtkSetStringMacro(FileName);
61  vtkGetStringMacro(FileName);
63 
64 protected:
67 
72 
73  char *FileName;
74  std::vector<istream::pos_type> file_positions; // to store begining of each tstep
75  std::vector<double> TimeSteps;
76 
79 
80 private:
81  vtkXYZMolReader2(const vtkXYZMolReader2&) VTK_DELETE_FUNCTION;
82  void operator=(const vtkXYZMolReader2&) VTK_DELETE_FUNCTION;
83 };
84 
85 #endif
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
std::vector< double > TimeSteps
Store vtkAlgorithm input/output information.
class describing a molecule
Definition: vtkMolecule.h:90
static vtkMoleculeAlgorithm * New()
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:39
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.
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