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
30 #include "vtkPolyDataAlgorithm.h"
31 
32 class vtkCellArray;
33 class vtkFloatArray;
34 class vtkDataArray;
35 class vtkIdTypeArray;
37 class vtkPoints;
38 class vtkStringArray;
39 class vtkMolecule;
40 
41 class VTKIOGEOMETRY_EXPORT vtkMoleculeReaderBase : public vtkPolyDataAlgorithm
42 {
43 public:
45  void PrintSelf(ostream& os, vtkIndent indent);
46 
47  vtkSetStringMacro(FileName);
48  vtkGetStringMacro(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 
68 protected:
71 
72  char *FileName;
73  double BScale;
74  double HBScale;
76 
77  virtual int FillOutputPortInformation(int, vtkInformation *);
79 
80  int ReadMolecule(FILE *fp, vtkPolyData *output);
81  int MakeAtomType(const char *atype);
82  int MakeBonds(vtkPoints*, vtkIdTypeArray*, vtkCellArray*);
83 
96 
97  virtual void ReadSpecificMolecule(FILE* fp) = 0;
98 
99 private:
100  vtkMoleculeReaderBase(const vtkMoleculeReaderBase&) VTK_DELETE_FUNCTION;
101  void operator=(const vtkMoleculeReaderBase&) VTK_DELETE_FUNCTION;
102 };
103 
104 #endif
Store vtkAlgorithm input/output information.
class describing a molecule
Definition: vtkMolecule.h:90
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
dynamic, self-adjusting array of float
Definition: vtkFloatArray.h:41
a vtkAbstractArray subclass for strings
vtkUnsignedCharArray * IsHetatm
read Molecular Data files
dynamic, self-adjusting array of vtkIdType
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:85
vtkUnsignedCharArray * SecondaryStructures
vtkUnsignedCharArray * SecondaryStructuresEnd
Superclass for algorithms that produce only polydata as output.
a simple class to control print indentation
Definition: vtkIndent.h:39
abstract superclass for arrays of numeric data
Definition: vtkDataArray.h:54
vtkStringArray * AtomTypeStrings
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.
vtkUnsignedCharArray * SecondaryStructuresBegin
vtkSetMacro(IgnoreDriverBugs, bool)
When set known driver bugs are ignored during driver feature detection.
dynamic, self-adjusting array of unsigned char
object to represent cell connectivity
Definition: vtkCellArray.h:50
vtkUnsignedCharArray * RGB
vtkUnsignedCharArray * Chain
int FillOutputPortInformation(int port, vtkInformation *info) override
Fill the output port information objects for this algorithm.
Store zero or more vtkInformation instances.
represent and manipulate 3D points
Definition: vtkPoints.h:39
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.