/usr/include/vtk-6.3/vtkMoleculeReaderBase.h is in libvtk6-dev 6.3.0+dfsg1-11build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 | /*=========================================================================
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.
=========================================================================*/
// .NAME vtkMoleculeReaderBase - read Molecular Data files
// .SECTION Description
// vtkMoleculeReaderBase is a source object that reads Molecule files
// The FileName must be specified
//
// .SECTION Thanks
// Dr. Jean M. Favre who developed and contributed this class
#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);
//Description:
//A scaling factor to compute bonds between non-hydrogen atoms
vtkSetMacro(BScale, double);
vtkGetMacro(BScale, double);
//Description:
//A scaling factor to compute bonds with hydrogen atoms.
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
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