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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 
79 
80  int ReadMolecule(FILE *fp, vtkPolyData *output);
81  int MakeAtomType(const char *atype);
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
vtkPoints
represent and manipulate 3D points
Definition: vtkPoints.h:40
vtkMoleculeReaderBase::RequestData
virtual int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *)
This is called by the superclass.
vtkMoleculeReaderBase::SecondaryStructuresBegin
vtkUnsignedCharArray * SecondaryStructuresBegin
Definition: vtkMoleculeReaderBase.h:93
vtkFloatArray
dynamic, self-adjusting array of float
Definition: vtkFloatArray.h:42
vtkMoleculeReaderBase::SecondaryStructuresEnd
vtkUnsignedCharArray * SecondaryStructuresEnd
Definition: vtkMoleculeReaderBase.h:94
vtkInformationVector
Store zero or more vtkInformation instances.
Definition: vtkInformationVector.h:42
vtkMoleculeReaderBase::Radii
vtkFloatArray * Radii
Definition: vtkMoleculeReaderBase.h:87
vtkUnsignedCharArray
dynamic, self-adjusting array of unsigned char
Definition: vtkUnsignedCharArray.h:42
vtkMoleculeReaderBase::AtomTypeStrings
vtkStringArray * AtomTypeStrings
Definition: vtkMoleculeReaderBase.h:89
vtkDataArray
abstract superclass for arrays of numeric data
Definition: vtkDataArray.h:55
vtkMoleculeReaderBase::MakeAtomType
int MakeAtomType(const char *atype)
vtkMoleculeReaderBase
read Molecular Data files
Definition: vtkMoleculeReaderBase.h:42
vtkMoleculeReaderBase::ReadMolecule
int ReadMolecule(FILE *fp, vtkPolyData *output)
vtkMoleculeReaderBase::ReadSpecificMolecule
virtual void ReadSpecificMolecule(FILE *fp)=0
vtkMoleculeReaderBase::Points
vtkPoints * Points
Definition: vtkMoleculeReaderBase.h:85
vtkPolyDataAlgorithm.h
vtkMoleculeReaderBase::Chain
vtkUnsignedCharArray * Chain
Definition: vtkMoleculeReaderBase.h:91
vtkMoleculeReaderBase::RGB
vtkUnsignedCharArray * RGB
Definition: vtkMoleculeReaderBase.h:86
vtkMoleculeReaderBase::NumberOfAtoms
int NumberOfAtoms
Definition: vtkMoleculeReaderBase.h:75
vtkMoleculeReaderBase::AtomType
vtkIdTypeArray * AtomType
Definition: vtkMoleculeReaderBase.h:88
vtkMoleculeReaderBase::SecondaryStructures
vtkUnsignedCharArray * SecondaryStructures
Definition: vtkMoleculeReaderBase.h:92
vtkMoleculeReaderBase::BScale
double BScale
Definition: vtkMoleculeReaderBase.h:73
vtkIndent
a simple class to control print indentation
Definition: vtkIndent.h:40
vtkMoleculeReaderBase::PrintSelf
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
vtkCellArray
object to represent cell connectivity
Definition: vtkCellArray.h:51
vtkMoleculeReaderBase::HBScale
double HBScale
Definition: vtkMoleculeReaderBase.h:74
vtkMoleculeReaderBase::~vtkMoleculeReaderBase
~vtkMoleculeReaderBase()
vtkGetStringMacro
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.
vtkMolecule
class describing a molecule
Definition: vtkMolecule.h:91
vtkInformation
Store vtkAlgorithm input/output information.
Definition: vtkInformation.h:87
vtkSetMacro
vtkSetMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
vtkIdTypeArray
dynamic, self-adjusting array of vtkIdType
Definition: vtkIdTypeArray.h:42
vtkMoleculeReaderBase::FileName
char * FileName
Definition: vtkMoleculeReaderBase.h:72
vtkMoleculeReaderBase::Residue
vtkIdTypeArray * Residue
Definition: vtkMoleculeReaderBase.h:90
vtkPolyData
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:86
vtkMoleculeReaderBase::MakeBonds
int MakeBonds(vtkPoints *, vtkIdTypeArray *, vtkCellArray *)
vtkMoleculeReaderBase::vtkMoleculeReaderBase
vtkMoleculeReaderBase()
vtkStringArray
a vtkAbstractArray subclass for strings
Definition: vtkStringArray.h:43
vtkMoleculeReaderBase::FillOutputPortInformation
virtual int FillOutputPortInformation(int, vtkInformation *)
Fill the output port information objects for this algorithm.
vtkMoleculeReaderBase::Molecule
vtkMolecule * Molecule
Definition: vtkMoleculeReaderBase.h:84
vtkMoleculeReaderBase::IsHetatm
vtkUnsignedCharArray * IsHetatm
Definition: vtkMoleculeReaderBase.h:95
vtkPolyDataAlgorithm
Superclass for algorithms that produce only polydata as output.
Definition: vtkPolyDataAlgorithm.h:45