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 "vtkIOChemistryModule.h" // For export macro
#include "vtkMoleculeReaderBase.h"
 
class VTKIOCHEMISTRY_EXPORT vtkXYZMolReader : public vtkMoleculeReaderBase
{
public:
  vtkTypeMacro(vtkXYZMolReader, vtkMoleculeReaderBase);
  void PrintSelf(ostream& os, vtkIndent indent) override;
 
  static vtkXYZMolReader* New();
 
  virtual int CanReadFile(VTK_FILEPATH 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