Main Page
Related Pages
Modules
Namespaces
Classes
Files
Class List
Class Index
Class Hierarchy
Class Members
BALL::Kekuliser Member List
This is the complete list of members for
BALL::Kekuliser
, including all inherited members.
all_aromatic_atoms_
BALL::Kekuliser
[protected]
applySolution_
(Position pos)
BALL::Kekuliser
[protected]
aromatic_atoms_
BALL::Kekuliser
[protected]
aromatic_rings_
BALL::Kekuliser
[protected]
aromatic_systems_
BALL::Kekuliser
[protected]
atom_infos_
BALL::Kekuliser
[protected]
calculateAromaticSystems_
()
BALL::Kekuliser
[protected]
calculateDistanceScores_
()
BALL::Kekuliser
[protected]
clear
()
BALL::Kekuliser
collectAromaticAtoms_
()
BALL::Kekuliser
[protected]
collectSystems_
(Atom &atom)
BALL::Kekuliser
[protected]
current_aromatic_system_
BALL::Kekuliser
[protected]
current_penalty_
BALL::Kekuliser
[protected]
dump
()
BALL::Kekuliser
fixAromaticRings_
()
BALL::Kekuliser
[protected]
fixAromaticSystem_
(Position it)
BALL::Kekuliser
[protected]
getMaximumValence_
()
BALL::Kekuliser
[protected]
getPenalty_
(Atom &atom, Index charge)
BALL::Kekuliser
[protected, virtual]
getUnassignedBonds
() const
BALL::Kekuliser
[inline]
hasAromaticBonds_
(Atom &atom)
BALL::Kekuliser
[protected]
Kekuliser
()
BALL::Kekuliser
lowest_penalty_
BALL::Kekuliser
[protected]
max_valence_
BALL::Kekuliser
[protected]
molecule_
BALL::Kekuliser
[protected]
rings_
BALL::Kekuliser
[protected]
setAromaticRings
(const std::vector< std::set< Atom * > > &rings)
BALL::Kekuliser
[inline]
setRings
(const std::vector< std::set< Atom * > > &rings)
BALL::Kekuliser
[inline]
setup
(Molecule &ac)
BALL::Kekuliser
setUseFormalCharges
(bool state)
BALL::Kekuliser
[inline]
solutions_
BALL::Kekuliser
[protected]
unassigned_bonds_
BALL::Kekuliser
[protected]
use_formal_charges_
BALL::Kekuliser
[protected]
useFormalCharges
() const
BALL::Kekuliser
[inline]
~Kekuliser
()
BALL::Kekuliser
[inline, virtual]
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Properties
Friends
Defines
Generated by
1.6.3