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79 lines
2.2 KiB
79 lines
2.2 KiB
/*=========================================================================
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Program: Visualization Toolkit
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Module: $RCSfile: vtkXYZMolReader.h,v $
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Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
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All rights reserved.
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See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
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This software is distributed WITHOUT ANY WARRANTY; without even
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the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
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PURPOSE. See the above copyright notice for more information.
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=========================================================================*/
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// .NAME vtkXYZMolReader - read Molecular Data files
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// .SECTION Description
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// vtkXYZMolReader is a source object that reads Molecule files
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// The FileName must be specified
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//
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// .SECTION Thanks
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// Dr. Jean M. Favre who developed and contributed this class
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#ifndef __vtkXYZMolReader_h
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#define __vtkXYZMolReader_h
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#include "vtkMoleculeReaderBase.h"
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class VTK_IO_EXPORT vtkXYZMolReader : public vtkMoleculeReaderBase
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{
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public:
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vtkTypeRevisionMacro(vtkXYZMolReader,vtkMoleculeReaderBase);
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void PrintSelf(ostream& os, vtkIndent indent);
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static vtkXYZMolReader *New();
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// Description:
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// Test whether the file with the given name can be read by this
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// reader.
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virtual int CanReadFile(const char* name);
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// Description:
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// Set the current time step. It should be greater than 0 and smaller than
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// MaxTimeStep.
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vtkSetMacro(TimeStep, int);
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vtkGetMacro(TimeStep, int);
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// Description:
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// Get the maximum time step.
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vtkGetMacro(MaxTimeStep, int);
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protected:
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vtkXYZMolReader();
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~vtkXYZMolReader();
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void ReadSpecificMolecule(FILE* fp);
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// Description:
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// Get next line that is not a comment. It returns the beginning of data on
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// line (skips empty spaces)
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char* GetNextLine(FILE* fp, char* line, int maxlen);
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int GetLine1(const char* line, int *cnt);
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int GetLine2(const char* line, char *name);
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int GetAtom(const char* line, char* atom, float *x);
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void InsertAtom(const char* atom, float *pos);
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vtkSetMacro(MaxTimeStep, int);
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int TimeStep;
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int MaxTimeStep;
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private:
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vtkXYZMolReader(const vtkXYZMolReader&); // Not implemented.
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void operator=(const vtkXYZMolReader&); // Not implemented.
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};
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#endif
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