BALL  1.4.79
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
BALL::MolecularSimilarity Member List

This is the complete list of members for BALL::MolecularSimilarity, including all inherited members.

calculateSimilarity(vector< bool > &fingerprint1, vector< bool > &fingerprint2)BALL::MolecularSimilarity
calculateSimilarity(vector< Size > &fingerprint1, vector< Size > &fingerprint2, vector< float > *stddev)BALL::MolecularSimilarity
filterRedundantMolecules(const list< Molecule * > &molecules, float similarity_threshold)BALL::MolecularSimilarity
filterRedundantMolecules(System &molecules, float similarity_threshold)BALL::MolecularSimilarity
fingerprints_BALL::MolecularSimilarityprotected
generateFingerprint(Molecule &molecule, vector< Size > &fingerprint)BALL::MolecularSimilarity
generateFingerprints(System &molecules, vector< vector< Size > > &fingerprints)BALL::MolecularSimilarity
generateFingerprints(const list< Molecule * > &molecules, vector< vector< Size > > &fingerprints)BALL::MolecularSimilarity
generatePathFingerprint(Molecule &mol, vector< bool > &fingerprint)BALL::MolecularSimilarity
generatePathFingerprint_(const Atom *atom, std::vector< Size > &path, std::set< const Bond * > &path_bonds, std::vector< bool > &fingerprint)BALL::MolecularSimilarityprotected
generatePathHash_(vector< Size > &path, Size &hash)BALL::MolecularSimilarityprotected
getFunctionalGroupNames()BALL::MolecularSimilarity
matcher_BALL::MolecularSimilarityprotected
MolecularSimilarity(String smarts_file)BALL::MolecularSimilarity
smart_names_BALL::MolecularSimilarityprotected
smarts_BALL::MolecularSimilarityprotected
Generated by   doxygen 1.8.7