PairwiseResult

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KEYWORD

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Copyright: SAMBA group, Tel-Aviv Univ. Israel, 2003.

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CHANGES LOG

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friend class PairwiseResultCompletion;

  friend class PairwiseResultCompletion;

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PairwiseResult(const FeaturedMolecule* pivotMolecule_, const FeaturedMolecule* sceneMolecule_);

  PairwiseResult(const FeaturedMolecule* pivotMolecule_, const FeaturedMolecule* sceneMolecule_);

Function is currently defined inline.

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PairwiseResult(const PairwiseResult& orig) ;

  PairwiseResult(const PairwiseResult& orig) ;

Function is currently defined inline.

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void setStandalond() ;

  void setStandalond()                                                                                          
;

Function is currently defined inline.

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void generateCopyOfVotes() ;

  void generateCopyOfVotes()                                                                                          
;

Function is currently defined inline.

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PairwiseResult* generateCopy() const ;

  PairwiseResult* generateCopy() const                                                                                                                                                  
;

Function is currently defined inline.

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const FeaturedMolecule* getPivotMolecule() const ;

  const FeaturedMolecule* getPivotMolecule() const                          
;

Function is currently defined inline.

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const FeaturedMolecule* getSceneMolecule() const ;

  const FeaturedMolecule* getSceneMolecule() const                          
;

Function is currently defined inline.

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const vector< const Vote*>& getVotes() const ;

  const vector< const Vote*>& getVotes() const                   ;

Function is currently defined inline.

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const ScoredMatchedList& getFeatureMatch() const ;

  const ScoredMatchedList& getFeatureMatch() const                          
;

Function is currently defined inline.

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float getAtomScore() const ;

  float getAtomScore() const               //atomMatch.size(); }
;

Function is currently defined inline.

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float getFeatureScore() const;

  float getFeatureScore() const;

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float getScore() const ;

  float getScore() const                                // + getAtomScore() * atomScoreWeight_); }
;

Function is currently defined inline.

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int getFeatureMatchSize() const;

  int getFeatureMatchSize() const;

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int getFeaturesBits() const ;

  int getFeaturesBits() const                            
;

Function is currently defined inline.

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unsigned int getID() const ;

  unsigned int getID() const                
;

Function is currently defined inline.

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unsigned int votesNo() const ;

  unsigned int votesNo() const                         
;

Function is currently defined inline.

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float getFractionFeaturesScore(unsigned int featuresBits) const;

  float getFractionFeaturesScore(unsigned int featuresBits) const;

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bool isCollidingVote(const Vote* vote) const;

  bool isCollidingVote(const Vote* vote) const;

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bool isPartial(const PairwiseResult& otherPairwiseResult) const;

  bool isPartial(const PairwiseResult& otherPairwiseResult) const;

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bool isInPairwiseAlignment(const Vote* vote) const ;

  bool isInPairwiseAlignment(const Vote* vote) const                                                                                                                               
;

Function is currently defined inline.

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Molecule< Mol2Atom> getTransformedSceneMolecule() const;

  Molecule< Mol2Atom> getTransformedSceneMolecule() const;

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Molecule< Mol2Atom> getTransformedAlignmentCore() const;

  Molecule< Mol2Atom> getTransformedAlignmentCore() const;

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void getSceneFeatures(unsigned int featuresBits, vector< unsigned int>& sceneFeatures) const;

  void getSceneFeatures(unsigned int featuresBits, vector< unsigned int>& sceneFeatures) const;

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void transformSceneFeatures(const vector< unsigned int>& sceneFeatures, vector< Vector3>& transformedFeatures) const;

  void transformSceneFeatures(const vector< unsigned int>& sceneFeatures, vector< Vector3>& transformedFeatures) const; 

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Vector3 getCenterOfTransformedSceneFeature(unsigned int sceneFeatureID) const;

  Vector3 getCenterOfTransformedSceneFeature(unsigned int sceneFeatureID) const;

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bool addVote(const Vote* vote, bool checkCollisions );

adds a vote to current PairwiseResult if it is not colliding

  bool addVote(const Vote* vote, bool checkCollisions = true);

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void setID(unsigned int id) ;

  void setID(unsigned int id)              
;

Function is currently defined inline.

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void calculateFeatureMatch() ;

Calculate the feature match list and the feature score

  void calculateFeatureMatch()                                      
;

Function is currently defined inline.

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void calculateBipartiteFeatureMatch();

  void calculateBipartiteFeatureMatch();

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void calculateBipartiteFeatureMatch(FeatureBipartiteMatcher& bipartiteMatcher);

  void calculateBipartiteFeatureMatch(FeatureBipartiteMatcher& bipartiteMatcher);

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void calculateAtomMatch();

  void calculateAtomMatch(); 

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void calculateFeaturesBits();

  void calculateFeaturesBits();

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string defaultMol2Filename() const;

  string defaultMol2Filename() const; 

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string defaultFeatureMol2Filename() const;

  string defaultFeatureMol2Filename() const;

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void singeltonMol2Print() ;

  void singeltonMol2Print()                                                                                            
;

Function is currently defined inline.

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void outputMol2() const;

  void outputMol2() const;

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void outputMol2(ostream& output) const;

  void outputMol2(ostream& output) const;

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void outputMol2(ostream& output, const RigidTrans3& trans) const;

  void outputMol2(ostream& output, const RigidTrans3& trans) const;

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void outputMol2Alignment(const string& outputFileName) const;

  void outputMol2Alignment(const string& outputFileName) const;

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void outputInfo(ostream& outputStream) const;

  void outputInfo(ostream& outputStream) const;

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~PairwiseResult() ;

  ~PairwiseResult()                                                                                                               
;

Function is currently defined inline.

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vector< const Vote*> votes;

  vector< const Vote*> votes;

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FeaturedMolecule::RigidGroupTrans3Map transformations;

  FeaturedMolecule::RigidGroupTrans3Map transformations;

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const FeaturedMolecule* pivotMolecule;

  const FeaturedMolecule* pivotMolecule; 

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const FeaturedMolecule* sceneMolecule;

  const FeaturedMolecule* sceneMolecule; 

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float featureScore;

  float featureScore;

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bool isFeatureMatchUpdated;

  bool isFeatureMatchUpdated;

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ScoredMatchedList featureMatch_;

A match between the features of the transformed scene molecule to the pivot molecule

  ScoredMatchedList featureMatch_;

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int featuresBitsSet_;

  int featuresBitsSet_;

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unsigned int id_;

  unsigned int id_;

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bool isMol2FilePrinted_;

  bool isMol2FilePrinted_;

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bool isStandalone_;

  bool isStandalone_;

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float atomScoreWeight_;

  static float atomScoreWeight_;

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