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=========================================================================*/
26#ifndef vtkMoleculeReaderBase_h
27#define vtkMoleculeReaderBase_h
28
29#include "vtkIOGeometryModule.h" // For export macro
31
32class vtkCellArray;
33class vtkFloatArray;
34class vtkDataArray;
35class vtkIdTypeArray;
37class vtkPoints;
38class vtkStringArray;
39class vtkMolecule;
40
41class VTKIOGEOMETRY_EXPORT vtkMoleculeReaderBase : public vtkPolyDataAlgorithm
42{
43public:
45 void PrintSelf(ostream& os, vtkIndent indent);
46
47 vtkSetStringMacro(FileName);
49
51
54 vtkSetMacro(BScale, double);
55 vtkGetMacro(BScale, double);
57
59
62 vtkSetMacro(HBScale, double);
63 vtkGetMacro(HBScale, double);
65
66 vtkGetMacro(NumberOfAtoms, int);
67
68protected:
71
72 char *FileName;
73 double BScale;
74 double HBScale;
76
79
80 int ReadMolecule(FILE *fp, vtkPolyData *output);
81 int MakeAtomType(const char *atype);
83
96
97 virtual void ReadSpecificMolecule(FILE* fp) = 0;
98
99private:
100 vtkMoleculeReaderBase(const vtkMoleculeReaderBase&) VTK_DELETE_FUNCTION;
101 void operator=(const vtkMoleculeReaderBase&) VTK_DELETE_FUNCTION;
102};
103
104#endif
object to represent cell connectivity
Definition: vtkCellArray.h:51
abstract superclass for arrays of numeric data
Definition: vtkDataArray.h:55
dynamic, self-adjusting array of float
Definition: vtkFloatArray.h:42
dynamic, self-adjusting array of vtkIdType
a simple class to control print indentation
Definition: vtkIndent.h:40
Store zero or more vtkInformation instances.
Store vtkAlgorithm input/output information.
read Molecular Data files
vtkUnsignedCharArray * RGB
vtkUnsignedCharArray * SecondaryStructuresEnd
virtual int FillOutputPortInformation(int, vtkInformation *)
Fill the output port information objects for this algorithm.
int MakeAtomType(const char *atype)
vtkUnsignedCharArray * IsHetatm
vtkUnsignedCharArray * SecondaryStructuresBegin
vtkStringArray * AtomTypeStrings
virtual void ReadSpecificMolecule(FILE *fp)=0
int ReadMolecule(FILE *fp, vtkPolyData *output)
vtkUnsignedCharArray * Chain
int MakeBonds(vtkPoints *, vtkIdTypeArray *, vtkCellArray *)
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
virtual int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *)
This is called by the superclass.
vtkUnsignedCharArray * SecondaryStructures
class describing a molecule
Definition: vtkMolecule.h:91
represent and manipulate 3D points
Definition: vtkPoints.h:40
Superclass for algorithms that produce only polydata as output.
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:86
a vtkAbstractArray subclass for strings
dynamic, self-adjusting array of unsigned char
vtkSetMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.