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00001 /*========================================================================= 00002 00003 Program: Visualization Toolkit 00004 Module: vtkMoleculeReaderBase.h 00005 00006 Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen 00007 All rights reserved. 00008 See Copyright.txt or http://www.kitware.com/Copyright.htm for details. 00009 00010 This software is distributed WITHOUT ANY WARRANTY; without even 00011 the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR 00012 PURPOSE. See the above copyright notice for more information. 00013 00014 =========================================================================*/ 00025 #ifndef __vtkMoleculeReaderBase_h 00026 #define __vtkMoleculeReaderBase_h 00027 00028 #include "vtkIOGeometryModule.h" // For export macro 00029 #include "vtkPolyDataAlgorithm.h" 00030 00031 class vtkCellArray; 00032 class vtkFloatArray; 00033 class vtkDataArray; 00034 class vtkIdTypeArray; 00035 class vtkUnsignedCharArray; 00036 class vtkPoints; 00037 class vtkStringArray; 00038 class vtkMolecule; 00039 00040 class VTKIOGEOMETRY_EXPORT vtkMoleculeReaderBase : public vtkPolyDataAlgorithm 00041 { 00042 public: 00043 vtkTypeMacro(vtkMoleculeReaderBase,vtkPolyDataAlgorithm); 00044 void PrintSelf(ostream& os, vtkIndent indent); 00045 00046 vtkSetStringMacro(FileName); 00047 vtkGetStringMacro(FileName); 00048 00050 00051 vtkSetMacro(BScale, double); 00052 vtkGetMacro(BScale, double); 00054 00056 00057 vtkSetMacro(HBScale, double); 00058 vtkGetMacro(HBScale, double); 00060 00061 vtkGetMacro(NumberOfAtoms, int); 00062 00063 protected: 00064 vtkMoleculeReaderBase(); 00065 ~vtkMoleculeReaderBase(); 00066 00067 char *FileName; 00068 double BScale; 00069 double HBScale; 00070 int NumberOfAtoms; 00071 00072 virtual int FillOutputPortInformation(int, vtkInformation *); 00073 virtual int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *); 00074 00075 int ReadMolecule(FILE *fp, vtkPolyData *output); 00076 int MakeAtomType(const char *atype); 00077 int MakeBonds(vtkPoints*, vtkIdTypeArray*, vtkCellArray*); 00078 00079 vtkMolecule *Molecule; 00080 vtkPoints *Points; 00081 vtkUnsignedCharArray *RGB; 00082 vtkFloatArray *Radii; 00083 vtkIdTypeArray *AtomType; 00084 vtkStringArray *AtomTypeStrings; 00085 vtkIdTypeArray *Residue; 00086 vtkUnsignedCharArray *Chain; 00087 vtkUnsignedCharArray *SecondaryStructures; 00088 vtkUnsignedCharArray *SecondaryStructuresBegin; 00089 vtkUnsignedCharArray *SecondaryStructuresEnd; 00090 vtkUnsignedCharArray *IsHetatm; 00091 00092 virtual void ReadSpecificMolecule(FILE* fp) = 0; 00093 00094 private: 00095 vtkMoleculeReaderBase(const vtkMoleculeReaderBase&); // Not implemented. 00096 void operator=(const vtkMoleculeReaderBase&); // Not implemented. 00097 }; 00098 00099 #endif
1.8.0