BALL  1.4.79
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BALL::Kekuliser Member List

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

all_aromatic_atoms_BALL::Kekuliserprotected
applySolution_(Position pos)BALL::Kekuliserprotected
aromatic_atoms_BALL::Kekuliserprotected
aromatic_rings_BALL::Kekuliserprotected
aromatic_systems_BALL::Kekuliserprotected
atom_infos_BALL::Kekuliserprotected
calculateAromaticSystems_()BALL::Kekuliserprotected
calculateDistanceScores_()BALL::Kekuliserprotected
clear()BALL::Kekuliser
collectAromaticAtoms_()BALL::Kekuliserprotected
collectSystems_(Atom &atom)BALL::Kekuliserprotected
current_aromatic_system_BALL::Kekuliserprotected
current_penalty_BALL::Kekuliserprotected
dump()BALL::Kekuliser
fixAromaticRings_()BALL::Kekuliserprotected
fixAromaticSystem_(Position it)BALL::Kekuliserprotected
getMaximumValence_()BALL::Kekuliserprotected
getPenalty_(Atom &atom, Index charge)BALL::Kekuliserprotectedvirtual
getUnassignedBonds() const BALL::Kekuliserinline
hasAromaticBonds_(Atom &atom)BALL::Kekuliserprotected
Kekuliser()BALL::Kekuliser
lowest_penalty_BALL::Kekuliserprotected
max_valence_BALL::Kekuliserprotected
molecule_BALL::Kekuliserprotected
rings_BALL::Kekuliserprotected
setAromaticRings(const std::vector< std::set< Atom * > > &rings)BALL::Kekuliserinline
setRings(const std::vector< std::set< Atom * > > &rings)BALL::Kekuliserinline
setup(Molecule &ac)BALL::Kekuliser
setUseFormalCharges(bool state)BALL::Kekuliserinline
solutions_BALL::Kekuliserprotected
unassigned_bonds_BALL::Kekuliserprotected
use_formal_charges_BALL::Kekuliserprotected
useFormalCharges() const BALL::Kekuliserinline
~Kekuliser()BALL::Kekuliserinlinevirtual
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