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Library.h

#ifndef LIBRARY_H
#define LIBRARY_H

#include "Fragment.h"
#include <iosfwd>
#include <string>
#include <vector>

class Library
{ 
 public:

  inline Library( void );

  virtual ~Library();

  void initialize( void );

  friend std::ostream& operator<<( std::ostream& p_out, const Library& p_library );
  
  void addFragment( const Fragment& p_fragment, int p_position = Library::LAST_POSITION );

  void deleteFragmentByIndex( const int p_position );

  void pruneBasedOnOccurence( float p_fraction_to_keep );

  void pruneZeroOccurence( void );

  void pruneWithGoodnessFraction( const float p_threshold_fraction );

  // Transfer the p_number last fragments from the fragment list to the rejected list when fragment list is sorted according to goodness float
  //void pruneBasedOnFragmentGoodness( const int p_number );

  void pruneNWorstFragment( const int p_number );

  void resetFragmentList( void );

  void buildSubLibrary( const int p_nbr_division, const int p_index, Library* p_library ) const;

  void shuffle( void );

  // Average of properties
  //void calculatePropertyAverage( float & p_hba_avg, float & p_hbd_avg, float & p_nnh_avg, float & p_mw_avg, float & p_logp_var );
  
  // Variance of properties
  //void calculatePropertyVariance( float & p_hba_var, float & p_hbd_var, float & p_nnh_var, float & p_mw_var, float & p_logp_var );

  double calculateSumScoreUpTo( float p_fraction );
  
  inline const std::string& getLibraryName( void ) const;

  inline void setLibraryName( const std::string& p_Name );

  inline Fragment* getFragmentByIndex( const int p_index ) const;

  inline const std::vector<Fragment*>& getFragmentList( void ) const;

  inline const std::vector<Fragment*>& getRejectedFragmentList( void ) const;

  inline int getNumberOfFragment( void ) const;

  inline int getNumberOfRejectedFragment( void ) const;
  
  inline int getNumberOfInitialFragment( void ) const;

  inline void setIsKeptConstant( const bool p_is_kept_constant );

  inline bool getIsKeptConstant( void ) const;

  inline int getPotentialGoodnessCount( void ) const;

  inline void setPotentialGoodnessCount( int p_potential );
  
  
 protected:
  
  static const int LAST_POSITION;

private:
  
  // To prevent copy (should be implemented in the futur.
  Library& operator=( const Library& p_Library ){ return *this;};

  // The automatic copy constructor (keeping the same fragment pointer) will do the job.
  //Library( const Library& p_Library ){};

  // Set to true when pruning is not allowed. This boolean does not affect the internal logic of the class.
  bool m_IsKeptConstant;
  int m_PotentialGoodnessCount;
  std::string m_LibraryName;
  std::vector<Fragment*> m_Fragments;
  std::vector<Fragment*> m_RejectedFragments;
};

#include "Library.inline.cc"

#endif
PotentialGoodnessCount;
  std::string m_LibraryName;
  std::vector<Fragment*> m_Fragments;
  std::vector<Fragment*> m_RejectedFragments;
};

#include "Library.inline.cc"

#endif

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