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
34
35#include <vector>
36#include <fstream>
37#include <iostream>
38
39class vtkMolecule;
40
41class VTKDOMAINSCHEMISTRY_EXPORT vtkXYZMolReader2 : public vtkMoleculeAlgorithm
42{
43public:
46 void PrintSelf(ostream& os, vtkIndent indent);
47
49
55
57
60 vtkSetStringMacro(FileName);
63
64protected:
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
80private:
81 vtkXYZMolReader2(const vtkXYZMolReader2&) VTK_DELETE_FUNCTION;
82 void operator=(const vtkXYZMolReader2&) VTK_DELETE_FUNCTION;
83};
84
85#endif
a simple class to control print indentation
Definition: vtkIndent.h:40
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:91
read Molecular Data files
int RequestInformation(vtkInformation *, vtkInformationVector **, vtkInformationVector *)
static vtkXYZMolReader2 * New()
int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *)
This is called by the superclass.
std::vector< istream::pos_type > file_positions
vtkMolecule * GetOutput()
Get/Set the output (vtkMolecule) that the reader will fill.
std::vector< double > TimeSteps
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
void SetOutput(vtkMolecule *)
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.