addBond(string thisBsiteName, TemplateMolecule *t2, string bSiteName2) | NFcore::TemplateMolecule | |
addBoundComponent(string cName) | NFcore::TemplateMolecule | |
addComponentConstraint(string cName, string stateName) | NFcore::TemplateMolecule | |
addComponentConstraint(string cName, int stateValue) | NFcore::TemplateMolecule | |
addComponentExclusion(string cName, string stateName) | NFcore::TemplateMolecule | |
addComponentExclusion(string cName, int stateValue) | NFcore::TemplateMolecule | |
addConnectedTo(TemplateMolecule *t2, int otherConToIndex) | NFcore::TemplateMolecule | |
addConnectedTo(TemplateMolecule *t2, int otherConToIndex, bool otherHasRxnCenter) | NFcore::TemplateMolecule | |
addEmptyComponent(string cName) | NFcore::TemplateMolecule | |
addMapGenerator(MapGenerator *mg) | NFcore::TemplateMolecule | |
addSymBond(string thisBsiteName, string thisCompId, TemplateMolecule *t2, string bSiteName2) | NFcore::TemplateMolecule | |
addSymCompConstraint(string cName, string uniqueId, int bondState, int stateConstraint) | NFcore::TemplateMolecule | |
bind(TemplateMolecule *t1, string bSiteName1, string compId1, TemplateMolecule *t2, string bSiteName2, string compId2) | NFcore::TemplateMolecule | [static] |
bondComp | NFcore::TemplateMolecule | [protected] |
bondCompName | NFcore::TemplateMolecule | [protected] |
bondPartner | NFcore::TemplateMolecule | [protected] |
bondPartnerCompIndex | NFcore::TemplateMolecule | [protected] |
bondPartnerCompName | NFcore::TemplateMolecule | [protected] |
canBeMappedTo | NFcore::TemplateMolecule | [protected] |
checkSymmetry(TemplateMolecule *tm1, TemplateMolecule *tm2, string bSite1, string bSite2) | NFcore::TemplateMolecule | [static] |
checkSymmetryAroundBond(TemplateMolecule *tm1, TemplateMolecule *tm2, string bSite1, string bSite2) | NFcore::TemplateMolecule | [static] |
clear() | NFcore::TemplateMolecule | |
clearConnectedTo() | NFcore::TemplateMolecule | |
clearTemplateOnly() | NFcore::TemplateMolecule | |
compare(Molecule *m) | NFcore::TemplateMolecule | |
compare(Molecule *m, ReactantContainer *rc, MappingSet *ms, bool holdMolClearToEnd=false) | NFcore::TemplateMolecule | |
compIsAlwaysMapped | NFcore::TemplateMolecule | [protected] |
compStateConstraint_Comp | NFcore::TemplateMolecule | [protected] |
compStateConstraint_Constraint | NFcore::TemplateMolecule | [protected] |
compStateExclusion_Comp | NFcore::TemplateMolecule | [protected] |
compStateExclusion_Exclusion | NFcore::TemplateMolecule | [protected] |
connectedTo | NFcore::TemplateMolecule | [protected] |
connectedToHasRxnCenter | NFcore::TemplateMolecule | [protected] |
contains(TemplateMolecule *tempMol) | NFcore::TemplateMolecule | |
d | NFcore::TemplateMolecule | [protected, static] |
EMPTY | NFcore::TemplateMolecule | [static] |
emptyComps | NFcore::TemplateMolecule | [protected] |
FIND_ALL | NFcore::TemplateMolecule | [static] |
getMoleculeType() const | NFcore::TemplateMolecule | [inline] |
getMoleculeTypeName() const | NFcore::TemplateMolecule | |
getN_connectedTo() const | NFcore::TemplateMolecule | [inline] |
getN_mapGenerators() const | NFcore::TemplateMolecule | [inline] |
getN_symCompBonds() const | NFcore::TemplateMolecule | [inline] |
getN_symComps() const | NFcore::TemplateMolecule | [inline] |
getNumDisjointSets(vector< TemplateMolecule * > &tMolecules, vector< vector< TemplateMolecule * > > &sets, vector< int > &uniqueSetId) | NFcore::TemplateMolecule | [static] |
getPatternString() | NFcore::TemplateMolecule | |
hasTraversedDownConnectedTo | NFcore::TemplateMolecule | [protected] |
hasTraversedDownSym | NFcore::TemplateMolecule | [protected] |
hasVisitedBond | NFcore::TemplateMolecule | [protected] |
hasVisitedThis | NFcore::TemplateMolecule | [protected] |
isSymCompMapped | NFcore::TemplateMolecule | [protected] |
isSymMapValid() | NFcore::TemplateMolecule | |
mapGenerators | NFcore::TemplateMolecule | [protected] |
matchMolecule | NFcore::TemplateMolecule | [protected] |
moleculeType | NFcore::TemplateMolecule | [protected] |
n_bonds | NFcore::TemplateMolecule | [protected] |
n_compStateConstraint | NFcore::TemplateMolecule | [protected] |
n_compStateExclusion | NFcore::TemplateMolecule | [protected] |
n_connectedTo | NFcore::TemplateMolecule | [protected] |
n_emptyComps | NFcore::TemplateMolecule | [protected] |
n_mapGenerators | NFcore::TemplateMolecule | [protected] |
n_occupiedComps | NFcore::TemplateMolecule | [protected] |
n_symComps | NFcore::TemplateMolecule | [protected] |
n_totalComps | NFcore::TemplateMolecule | [protected] |
NO_CONSTRAINT | NFcore::TemplateMolecule | [static] |
OCCUPIED | NFcore::TemplateMolecule | [static] |
occupiedComps | NFcore::TemplateMolecule | [protected] |
otherTemplateConnectedToIndex | NFcore::TemplateMolecule | [protected] |
printDetails() | NFcore::TemplateMolecule | |
printDetails(ostream &o) | NFcore::TemplateMolecule | |
printErrorAndExit(string message) | NFcore::TemplateMolecule | |
printPattern() | NFcore::TemplateMolecule | |
printPattern(ostream &o) | NFcore::TemplateMolecule | |
q | NFcore::TemplateMolecule | [protected, static] |
SKIP_CONNECTED_TO | NFcore::TemplateMolecule | [static] |
symBondPartner | NFcore::TemplateMolecule | [protected] |
symBondPartnerCompIndex | NFcore::TemplateMolecule | [protected] |
symBondPartnerCompName | NFcore::TemplateMolecule | [protected] |
symCompBoundState | NFcore::TemplateMolecule | [protected] |
symCompName | NFcore::TemplateMolecule | [protected] |
symCompStateConstraint | NFcore::TemplateMolecule | [protected] |
symCompUniqueId | NFcore::TemplateMolecule | [protected] |
TemplateMolecule(MoleculeType *moleculeType) | NFcore::TemplateMolecule | |
tmIter | NFcore::TemplateMolecule | [protected, static] |
tmVecIter | NFcore::TemplateMolecule | [protected, static] |
TotalTemplateMoleculeCount | NFcore::TemplateMolecule | [protected, static] |
traverse(TemplateMolecule *tempMol, vector< TemplateMolecule * > &tmList, bool skipConnectedTo) | NFcore::TemplateMolecule | [static] |
tryToMap(Molecule *toMap, string toMapComponent, Molecule *mappedFrom, string mappedFromComponent) | NFcore::TemplateMolecule | |
uniqueTemplateID | NFcore::TemplateMolecule | [protected] |
~TemplateMolecule() | NFcore::TemplateMolecule | |