VTK
vtkMoleculeReaderBase.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkMoleculeReaderBase.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 =========================================================================*/
25 #ifndef __vtkMoleculeReaderBase_h
26 #define __vtkMoleculeReaderBase_h
27 
28 #include "vtkPolyDataAlgorithm.h"
29 
30 class vtkCellArray;
31 class vtkFloatArray;
32 class vtkDataArray;
33 class vtkIdTypeArray;
35 class vtkPoints;
36 
38 {
39 public:
41  void PrintSelf(ostream& os, vtkIndent indent);
42 
43  vtkSetStringMacro(FileName);
44  vtkGetStringMacro(FileName);
45 
47 
48  vtkSetMacro(BScale, double);
49  vtkGetMacro(BScale, double);
51 
53 
54  vtkSetMacro(HBScale, double);
55  vtkGetMacro(HBScale, double);
57 
58  vtkGetMacro(NumberOfAtoms, int);
59 
60 protected:
63 
64  char *FileName;
65  double BScale;
66  double HBScale;
68 
70  int ReadMolecule(FILE *fp, vtkPolyData *output);
71  int MakeAtomType(const char *atype);
72  int MakeBonds(vtkPoints*, vtkIdTypeArray*, vtkCellArray*);
73 
78 
79  virtual void ReadSpecificMolecule(FILE* fp) = 0;
80 
81 private:
82  vtkMoleculeReaderBase(const vtkMoleculeReaderBase&); // Not implemented.
83  void operator=(const vtkMoleculeReaderBase&); // Not implemented.
84 };
85 
86 #endif
Store vtkAlgorithm input/output information.
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
dynamic, self-adjusting array of float
Definition: vtkFloatArray.h:42
read Molecular Data files
dynamic, self-adjusting array of vtkIdType
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:81
void PrintSelf(ostream &os, vtkIndent indent)
Superclass for algorithms that produce only polydata as output.
a simple class to control print indentation
Definition: vtkIndent.h:37
abstract superclass for arrays of numeric data
Definition: vtkDataArray.h:53
dynamic, self-adjusting array of unsigned char
object to represent cell connectivity
Definition: vtkCellArray.h:48
vtkUnsignedCharArray * RGB
Store zero or more vtkInformation instances.
#define VTK_IO_EXPORT
represent and manipulate 3D points
Definition: vtkPoints.h:38