vtkXYZMolReader.h

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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.

=========================================================================*/
#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) override;

  static vtkXYZMolReader *New();

  virtual int CanReadFile(const char* name);


  vtkSetMacro(TimeStep, int);
  vtkGetMacro(TimeStep, int);


  vtkGetMacro(MaxTimeStep, int);

protected:
  vtkXYZMolReader();
  ~vtkXYZMolReader() override;

  void ReadSpecificMolecule(FILE* fp) override;

  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&) = delete;
  void operator=(const vtkXYZMolReader&) = delete;
};

#endif