[ ligand_pharma | Source | Keywords | Summary | Ancestors | All Members | Descendants ]
public: | |
VoteTable(const FeaturedMolecule& pivotMolecule_, const vector< const FeaturedMolecule*>& sceneMolecules_); | |
void | addIdentityVote(unsigned int moleculeID, unsigned int rigidGroupID); |
void | addVote(unsigned int moleculeID, const Vote& vote); |
void | addConnectingVotes(unsigned int molID); |
void | enrichVotesByTranslation(unsigned int molID); |
void | cluster(unsigned int molID); |
void | fastCluster(unsigned int molIndex); |
const vector< Vote>& | getVotes(unsigned int sceneMoleculeID, unsigned int sceneRigidGroupID) const ; |
FeatureBipartiteMatcher& | getBipartiteMatcher(unsigned int sceneMoleculeID) ; |
friend ostream& | operator<<(ostream& s, const VoteTable& voteTable); |
void | clearVotes(unsigned int molID) ; |
protected: | |
const FeaturedMolecule& | pivotMolecule; |
const vector< const FeaturedMolecule*>& | sceneMolecules; |
vector< vector< vector< Vote> > > | votes; |
vector< FeatureBipartiteMatcher *> | bipartiteMatchers_; |
Copyright: SAMBA group, Tel-Aviv Univ. Israel, 2003.
VoteTable(const FeaturedMolecule& pivotMolecule_, const vector< const FeaturedMolecule*>& sceneMolecules_);
void addIdentityVote(unsigned int moleculeID, unsigned int rigidGroupID);
void addIdentityVote(unsigned int moleculeID, unsigned int rigidGroupID);
void addVote(unsigned int moleculeID, const Vote& vote);
void addVote(unsigned int moleculeID, const Vote& vote);
void addConnectingVotes(unsigned int molID);
void addConnectingVotes(unsigned int molID);
void enrichVotesByTranslation(unsigned int molID);
void enrichVotesByTranslation(unsigned int molID);
void cluster(unsigned int molID);
Cluster all matches
void cluster(unsigned int molID);
void fastCluster(unsigned int molIndex);
void fastCluster(unsigned int molIndex);
const vector< Vote>& getVotes(unsigned int sceneMoleculeID, unsigned int sceneRigidGroupID) const ;
Function is currently defined inline.
FeatureBipartiteMatcher& getBipartiteMatcher(unsigned int sceneMoleculeID) ;
FeatureBipartiteMatcher& getBipartiteMatcher(unsigned int sceneMoleculeID) ;
Function is currently defined inline.
friend ostream& operator<<(ostream& s, const VoteTable& voteTable);
friend ostream& operator<<(ostream& s, const VoteTable& voteTable);
void clearVotes(unsigned int molID) ;
void clearVotes(unsigned int molID) ;
Function is currently defined inline.
const FeaturedMolecule& pivotMolecule;
const FeaturedMolecule& pivotMolecule;
const vector< const FeaturedMolecule*>& sceneMolecules;
const vector< const FeaturedMolecule*>& sceneMolecules;
vector< vector< vector< Vote> > > votes;
Stores the votes for every rigid part of a scene molecule
vector< vector< vector< Vote> > > votes; // [molIndex][rigidGroupIndex]
vector< FeatureBipartiteMatcher *> bipartiteMatchers_;
bipartite match objects for each scene molecule keep the feature nodes of pivot and scene molecule
vector< FeatureBipartiteMatcher *> bipartiteMatchers_;
public: | ||
---|---|---|
void | addIdentityVote(unsigned int moleculeID, unsigned int rigidGroupID); | |
void | addVote(unsigned int moleculeID, const Vote& vote); | |
void | addConnectingVotes(unsigned int molID); | |
void | enrichVotesByTranslation(unsigned int molID); | |
void | cluster(unsigned int molID); | |
void | fastCluster(unsigned int molIndex); | |
const vector< Vote>& | getVotes(unsigned int sceneMoleculeID, unsigned int sceneRigidGroupID) const ; | |
FeatureBipartiteMatcher& | getBipartiteMatcher(unsigned int sceneMoleculeID) ; | |
friend ostream& | operator<<(ostream& s, const VoteTable& voteTable); | |
void | clearVotes(unsigned int molID) ; | |
protected: | ||
const FeaturedMolecule& | pivotMolecule; | |
const vector< const FeaturedMolecule*>& | sceneMolecules; | |
vector< vector< vector< Vote> > > | votes; | |
vector< FeatureBipartiteMatcher *> | bipartiteMatchers_; |
Report problems to jkotula@unimax.com