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vtkXYZMolReader.h

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00001 /*=========================================================================
00002 
00003   Program:   Visualization Toolkit
00004   Module:    $RCSfile: vtkXYZMolReader.h,v $
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 =========================================================================*/
00028 #ifndef __vtkXYZMolReader_h
00029 #define __vtkXYZMolReader_h
00030 
00031 #include "vtkMoleculeReaderBase.h"
00032 
00033 
00034 class VTK_IO_EXPORT vtkXYZMolReader : public vtkMoleculeReaderBase
00035 {
00036 public:
00037   vtkTypeRevisionMacro(vtkXYZMolReader,vtkMoleculeReaderBase);
00038   void PrintSelf(ostream& os, vtkIndent indent);
00039 
00040   static vtkXYZMolReader *New();
00041 
00043   virtual int CanReadFile(const char* name);
00044 
00046 
00048   vtkSetMacro(TimeStep, int);
00049   vtkGetMacro(TimeStep, int);
00051 
00053 
00054   vtkGetMacro(MaxTimeStep, int);
00056 
00057 protected:
00058   vtkXYZMolReader();
00059   ~vtkXYZMolReader();
00060 
00061   void ReadSpecificMolecule(FILE* fp);
00062 
00065   char* GetNextLine(FILE* fp, char* line, int maxlen);
00066 
00067   int GetLine1(const char* line, int *cnt);
00068   int GetLine2(const char* line, char *name);
00069   int GetAtom(const char* line, char* atom, float *x);
00070 
00071   void InsertAtom(const char* atom, float *pos);
00072 
00073   vtkSetMacro(MaxTimeStep, int);
00074 
00075   int TimeStep;
00076   int MaxTimeStep;
00077 
00078 private:
00079   vtkXYZMolReader(const vtkXYZMolReader&);  // Not implemented.
00080   void operator=(const vtkXYZMolReader&);  // Not implemented.
00081 };
00082 
00083 #endif

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