 Vote
Vote[ ligand_pharma | Source | Keywords | Summary | Ancestors | All Members | Descendants ]
| public: | |
| // Constructors | |
| Vote(const FeaturedMolecule* pivotMol, const FeaturedMolecule* sceneMol, unsigned int groupID, const RigidTrans3& trans); | |
| // Inspectors | |
| const FeaturedMolecule* | getPivotMolecule() const ; | 
| const FeaturedMolecule* | getSceneMolecule() const ; | 
| unsigned int | getSceneRigidGroupID() const ; | 
| const FeaturedRigidGroup& | getSceneRigidGroup() const ; | 
| const ScoredMatchedList& | getFullMatchedList() const ; | 
| const RigidTrans3& | rigidTrans() const ; | 
| float | getAtomScore() const ; | 
| float | getFeatureScore() const | 
| float | getScore() const ; | 
| void | incScore(float score) const ; | 
| void | join(Vote& vote) const ; | 
| float | getCommonFeatureBasedAtomScore(const Vote& vote, FeatureBipartiteMatcher& bipartiteMatcher) const; | 
| void | calculateFullFeatureMatch(); | 
| void | calculateBipartiteFeatureMatch(FeatureBipartiteMatcher& bipartiteMatcher); | 
| void | validateFeatureMatchAndScore(FeatureBipartiteMatcher& bipartiteMatcher); | 
| friend ostream& | operator<<(ostream& s, const Vote& vote); | 
| protected; | |
| void | calculateFastAtomScore(); | 
| static float | atomScoreWeight_; | 
| protected: | |
| const FeaturedMolecule* | pivotMolecule_; | 
| const FeaturedMolecule* | sceneMolecule_; | 
| unsigned int | sceneRigidGroupID_; | 
| RigidTrans3 | trans_; | 
| ScoredMatchedList | featureMatch_; | 
| float | featureScore_; | 
| unsigned int | atomScore_; | 
| bool | isFeatureMatchUpdated_; | 
| bool | isUpdatedFeatureScore_; | 
Copyright: SAMBA group, Tel-Aviv Univ. Israel, 2003.
Constructor based on transformation
  Vote(const FeaturedMolecule* pivotMol, const FeaturedMolecule* sceneMol,
       unsigned int groupID, const RigidTrans3& trans);
const FeaturedMolecule* getPivotMolecule() const ;
const FeaturedMolecule* getPivotMolecule() const ;
Function is currently defined inline.
const FeaturedMolecule* getSceneMolecule() const ;
const FeaturedMolecule* getSceneMolecule() const ;
Function is currently defined inline.
unsigned int getSceneRigidGroupID() const ;
unsigned int getSceneRigidGroupID() const ;
Function is currently defined inline.
const FeaturedRigidGroup& getSceneRigidGroup() const ;
const FeaturedRigidGroup& getSceneRigidGroup() const ;
Function is currently defined inline.
const ScoredMatchedList& getFullMatchedList() const ;
const ScoredMatchedList& getFullMatchedList() const ;
Function is currently defined inline.
const RigidTrans3& rigidTrans() const ;
const RigidTrans3& rigidTrans() const //atomMatch_.rigidTrans(); } ;
Function is currently defined inline.
float getAtomScore() const ;
Function is currently defined inline.
float getFeatureScore() const
float getScore() const ;
Function is currently defined inline.
void incScore(float score) const ;
Implementation Note: These two methods do nothing. The score of a vote is defined by fastAtomScore. These methods are required for the RMSD Clustering algorithm.
void incScore(float score) const ;
Function is currently defined inline.
void join(Vote& vote) const ;
void join(Vote& vote) const ;
Function is currently defined inline.
FEATURE BASED score fraction of the hinge
float getCommonFeatureBasedAtomScore(const Vote& vote, FeatureBipartiteMatcher& bipartiteMatcher) const;
void calculateFullFeatureMatch();
void calculateFullFeatureMatch();
void calculateBipartiteFeatureMatch(FeatureBipartiteMatcher& bipartiteMatcher);
void calculateBipartiteFeatureMatch(FeatureBipartiteMatcher& bipartiteMatcher);
void validateFeatureMatchAndScore(FeatureBipartiteMatcher& bipartiteMatcher);
void validateFeatureMatchAndScore(FeatureBipartiteMatcher& bipartiteMatcher);
friend ostream& operator<<(ostream& s, const Vote& vote);
friend ostream& operator<<(ostream& s, const Vote& vote);
protected: void updateFeatureScore(float score);
void calculateFastAtomScore();
void calculateFastAtomScore();
const FeaturedMolecule* pivotMolecule_;
const FeaturedMolecule* pivotMolecule_;
const FeaturedMolecule* sceneMolecule_;
const FeaturedMolecule* sceneMolecule_;
unsigned int sceneRigidGroupID_;
unsigned int sceneRigidGroupID_;
RigidTrans3 trans_;
ScoredMatchedList featureMatch_;
ScoredMatchedList featureMatch_;
float featureScore_;
unsigned int atomScore_; //calculated by calculateFastAtomScore
bool isFeatureMatchUpdated_; // feature match keeps all possible feature matches for bipartite alg.
bool isUpdatedFeatureScore_; // if true, means bipartite matching was run on featureMatch_
static float atomScoreWeight_;
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