MultipleResult

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KEYWORD

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AUTHORS

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CHANGES LOG

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GOALS

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USAGE

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MultipleResult(int bitSet) ;

  MultipleResult(int bitSet) ;

Function is currently defined inline.

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MultipleResult(const MultipleResult& orig);

  MultipleResult(const MultipleResult& orig);

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void setStandalone() ;

  void setStandalone()                                                                                                    
;

Function is currently defined inline.

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void generateCopyOfPairwiseResults() ;

  void generateCopyOfPairwiseResults()                                                                                                        
;

Function is currently defined inline.

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MultipleResult* generateCopy() const ;

  MultipleResult* generateCopy() const ;

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float getFeatureScore() const ;

  float getFeatureScore() const                           
;

Function is currently defined inline.

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float getScore() const ;

  float getScore() const                                                                                                                                                                                 
;

Function is currently defined inline.

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float getFractionScoreForResult(const PairwiseResult& result);

  float getFractionScoreForResult(const PairwiseResult& result);

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void getCoreAttributes(FeaturedMolecule::FeatureSetAttributes& attributes) const;

  void getCoreAttributes(FeaturedMolecule::FeatureSetAttributes& attributes) const;

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int getBitSet() const ;

  int getBitSet() const                    
;

Function is currently defined inline.

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const FeaturedMolecule* getPivot() const ;

  const FeaturedMolecule* getPivot() const                   
;

Function is currently defined inline.

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const vector< const PairwiseResult*>& getPairwiseResults() const ;

  const vector< const PairwiseResult*>& getPairwiseResults() const                     
;

Function is currently defined inline.

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unsigned int actualNumOfFeatures() const ;

  unsigned int actualNumOfFeatures() const                                 
;

Function is currently defined inline.

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unsigned int numOfFeatures() const ;

  unsigned int numOfFeatures() const                           
;

Function is currently defined inline.

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unsigned int numOfMolecules() const ;

  unsigned int numOfMolecules() const                              
;

Function is currently defined inline.

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unsigned int maxPairwiseRank() const;

  unsigned int maxPairwiseRank() const;

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void getSceneMolecules(vector< const FeaturedMolecule*>& sceneMolecules) const;

  void getSceneMolecules(vector< const FeaturedMolecule*>& sceneMolecules) const;

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void getCorePivotFeatures(vector< unsigned int>& corePivotFeaturesIDs) const;

Returns the identifies of the pivot features in the core

  void getCorePivotFeatures(vector< unsigned int>& corePivotFeaturesIDs) const;

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void getCorePivotFeatures(vector< const Feature*>& corePivotFeatures) const;

  void getCorePivotFeatures(vector< const Feature*>& corePivotFeatures) const;

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void checkIntersection(int otherBitSet, unsigned int& intersection, unsigned int& xor1, unsigned int& xor2) const;

  void checkIntersection(int otherBitSet, unsigned int& intersection, unsigned int& xor1, unsigned int& xor2) const;

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MultipleResultPath* expandPath() const ;

  MultipleResultPath* expandPath() const                       
;

Function is currently defined inline.

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MultipleResultCluster* getCluster() const ;

  MultipleResultCluster* getCluster() const                     
;

Function is currently defined inline.

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void addResult(const PairwiseResult& result);

  void addResult(const PairwiseResult& result);

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void addResult(const PairwiseResult& result, float fractionScore);

  void addResult(const PairwiseResult& result, float fractionScore);

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void computeScore() ;

  void computeScore()                                                                         
;

Function is currently defined inline.

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void calculateActualNumOfFeatures() ;

  void calculateActualNumOfFeatures()                                                                                
;

Function is currently defined inline.

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void calculateNumOfFeatures() ;

  void calculateNumOfFeatures()                                                                                              ;

Function is currently defined inline.

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void setExpandPath(MultipleResultPath *path) ;

  void setExpandPath(MultipleResultPath *path)                        
;

Function is currently defined inline.

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void setCluster(MultipleResultCluster *cluster) ;

  void setCluster(MultipleResultCluster *cluster)                        
;

Function is currently defined inline.

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void outputMol2() const;

  void outputMol2() const;

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void preparePymolScript(const string filename) const;

  void preparePymolScript(const string filename) const;

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~MultipleResult();

  ~MultipleResult();

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float score_;

  float score_;

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float featureScore_;

  float featureScore_;

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float atomScore_;

  float atomScore_;  

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vector< const PairwiseResult*> results_;

  vector< const PairwiseResult*> results_;

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int bitSet_;

  int bitSet_;

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FeaturedMolecule *pivot_;

  FeaturedMolecule *pivot_;

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unsigned int actualNumOfFeatures_;

  unsigned int actualNumOfFeatures_;

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unsigned int numOfFeatures_;

  unsigned int numOfFeatures_;

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bool isStandalone_;

  bool isStandalone_;

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MultipleResultPath* expandPath_;

  MultipleResultPath* expandPath_; // best scoring path that starts with this result

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MultipleResultCluster* cluster_;

  MultipleResultCluster* cluster_; // cluster to which this result belongs to

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Ancestors

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Descendants

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