vtkMoleculeReaderBase.h

Go to the documentation of this file.

/*=========================================================================
 
  Program:   Visualization Toolkit
  Module:    vtkMoleculeReaderBase.h
 
  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
  All rights reserved.
  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
 
     This software is distributed WITHOUT ANY WARRANTY; without even
     the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
     PURPOSE.  See the above copyright notice for more information.
 
=========================================================================*/
#ifndef vtkMoleculeReaderBase_h
#define vtkMoleculeReaderBase_h
 
#include "vtkIOGeometryModule.h" // For export macro
#include "vtkPolyDataAlgorithm.h"
 
class vtkCellArray;
class vtkFloatArray;
class vtkDataArray;
class vtkIdTypeArray;
class vtkUnsignedCharArray;
class vtkPoints;
class vtkStringArray;
class vtkMolecule;
 
class VTKIOGEOMETRY_EXPORT vtkMoleculeReaderBase : public vtkPolyDataAlgorithm
{
public:
  vtkTypeMacro(vtkMoleculeReaderBase,vtkPolyDataAlgorithm);
  void PrintSelf(ostream& os, vtkIndent indent);
 
  vtkSetStringMacro(FileName);
  vtkGetStringMacro(FileName);
 
 
  vtkSetMacro(BScale, double);
  vtkGetMacro(BScale, double);
 
 
  vtkSetMacro(HBScale, double);
  vtkGetMacro(HBScale, double);
 
  vtkGetMacro(NumberOfAtoms, int);
 
protected:
  vtkMoleculeReaderBase();
  ~vtkMoleculeReaderBase();
 
  char *FileName;
  double BScale;
  double HBScale;
  int NumberOfAtoms;
 
  virtual int FillOutputPortInformation(int, vtkInformation *);
  virtual int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *);
 
  int ReadMolecule(FILE *fp, vtkPolyData *output);
  int MakeAtomType(const char *atype);
  int MakeBonds(vtkPoints*, vtkIdTypeArray*, vtkCellArray*);
 
  vtkMolecule *Molecule;
  vtkPoints *Points;
  vtkUnsignedCharArray *RGB;
  vtkFloatArray *Radii;
  vtkIdTypeArray *AtomType;
  vtkStringArray *AtomTypeStrings;
  vtkIdTypeArray *Residue;
  vtkUnsignedCharArray *Chain;
  vtkUnsignedCharArray *SecondaryStructures;
  vtkUnsignedCharArray *SecondaryStructuresBegin;
  vtkUnsignedCharArray *SecondaryStructuresEnd;
  vtkUnsignedCharArray *IsHetatm;
 
  virtual void ReadSpecificMolecule(FILE* fp) = 0;
 
private:
  vtkMoleculeReaderBase(const vtkMoleculeReaderBase&);  // Not implemented.
  void operator=(const vtkMoleculeReaderBase&);  // Not implemented.
};
 
#endif