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/*=========================================================================
Program: Visualization Toolkit
Module: vtkXYZMolReader.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.
=========================================================================*/
/**
* @class vtkXYZMolReader
* @brief read Molecular Data files
*
* vtkXYZMolReader is a source object that reads Molecule files
* The FileName must be specified
*
* @par Thanks:
* Dr. Jean M. Favre who developed and contributed this class
*/
#ifndef vtkXYZMolReader_h
#define vtkXYZMolReader_h
#include "vtkIOGeometryModule.h" // For export macro
#include "vtkMoleculeReaderBase.h"
class VTKIOGEOMETRY_EXPORT vtkXYZMolReader : public vtkMoleculeReaderBase
{
public:
vtkTypeMacro(vtkXYZMolReader,vtkMoleculeReaderBase);
void PrintSelf(ostream& os, vtkIndent indent) VTK_OVERRIDE;
static vtkXYZMolReader *New();
/**
* Test whether the file with the given name can be read by this
* reader.
*/
virtual int CanReadFile(const char* name);
//@{
/**
* Set the current time step. It should be greater than 0 and smaller than
* MaxTimeStep.
*/
vtkSetMacro(TimeStep, int);
vtkGetMacro(TimeStep, int);
//@}
//@{
/**
* Get the maximum time step.
*/
vtkGetMacro(MaxTimeStep, int);
//@}
protected:
vtkXYZMolReader();
~vtkXYZMolReader() VTK_OVERRIDE;
void ReadSpecificMolecule(FILE* fp) VTK_OVERRIDE;
/**
* Get next line that is not a comment. It returns the beginning of data on
* line (skips empty spaces)
*/
char* GetNextLine(FILE* fp, char* line, int maxlen);
int GetLine1(const char* line, int *cnt);
int GetLine2(const char* line, char *name);
int GetAtom(const char* line, char* atom, float *x);
void InsertAtom(const char* atom, float *pos);
vtkSetMacro(MaxTimeStep, int);
int TimeStep;
int MaxTimeStep;
private:
vtkXYZMolReader(const vtkXYZMolReader&) VTK_DELETE_FUNCTION;
void operator=(const vtkXYZMolReader&) VTK_DELETE_FUNCTION;
};
#endif
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