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BALL::AssignBondOrderProcessor Member List

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

ac_ | BALL::AssignBondOrderProcessor | protected
add_missing_hydrogens_ | BALL::AssignBondOrderProcessor | protected
alpha_ | BALL::AssignBondOrderProcessor | protected
apply(Position i) | BALL::AssignBondOrderProcessor |
apply_(BondOrderAssignment &solution) | BALL::AssignBondOrderProcessor | protected
argument_pointer typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
argument_reference typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
argument_type typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
AssignBondOrderProcessor() | BALL::AssignBondOrderProcessor |
AssignBondOrderProcessor(const AssignBondOrderProcessor &abop) | BALL::AssignBondOrderProcessor | protected
AStarBondOrderStrategy class | BALL::AssignBondOrderProcessor | friend
atom_to_block_ | BALL::AssignBondOrderProcessor | protected
atom_to_virtual_bond_index_ | BALL::AssignBondOrderProcessor | protected
atom_type_normalization_factor_ | BALL::AssignBondOrderProcessor | protected
block_definition_ | BALL::AssignBondOrderProcessor | protected
block_to_length_ | BALL::AssignBondOrderProcessor | protected
block_to_start_idx_ | BALL::AssignBondOrderProcessor | protected
block_to_start_valence_ | BALL::AssignBondOrderProcessor | protected
bond_fixed_ | BALL::AssignBondOrderProcessor | protected
bond_length_normalization_factor_ | BALL::AssignBondOrderProcessor | protected
bond_lengths_penalties_ | BALL::AssignBondOrderProcessor | protected
bond_to_index_ | BALL::AssignBondOrderProcessor | protected
BondOrderAssignment class | BALL::AssignBondOrderProcessor | friend
BondOrderAssignmentStrategy class | BALL::AssignBondOrderProcessor | friend
BranchAndBoundBondOrderStrategy class | BALL::AssignBondOrderProcessor | friend
clear() | BALL::AssignBondOrderProcessor |
compute_also_connectivity_ | BALL::AssignBondOrderProcessor | protected
compute_also_non_optimal_solutions_ | BALL::AssignBondOrderProcessor | protected
computeNextSolution(bool apply_solution=true) | BALL::AssignBondOrderProcessor |
computeVirtualHydrogens_(Atom *atom) | BALL::AssignBondOrderProcessor | protected
const_argument_pointer typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
const_argument_reference typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
evaluatePenalty(AtomContainer *ac) | BALL::AssignBondOrderProcessor |
evaluation_mode_ | BALL::AssignBondOrderProcessor | protected
finish() | BALL::AssignBondOrderProcessor | virtual
fixed_val_ | BALL::AssignBondOrderProcessor | protected
FPTBondOrderStrategy class | BALL::AssignBondOrderProcessor | friend
free_bonds_ | BALL::AssignBondOrderProcessor | protected
getAtomContainer() | BALL::AssignBondOrderProcessor | inline
getAtomContainer() const | BALL::AssignBondOrderProcessor | inline
getNumberOfAddedHydrogens(Position i) | BALL::AssignBondOrderProcessor | inline
getNumberOfComputedSolutions() | BALL::AssignBondOrderProcessor | inline
getNumberOfNodeExpansions(Position i) | BALL::AssignBondOrderProcessor | inline
getNumberOfNodeExpansions_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inline protected
getPenaltyClass_(Atom *atom) | BALL::AssignBondOrderProcessor | protected
getQueueSize(Position i) | BALL::AssignBondOrderProcessor | inline
getQueueSize_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inline protected
getSolution(Position i) | BALL::AssignBondOrderProcessor |
getTotalCharge(Position i) | BALL::AssignBondOrderProcessor | inline
getTotalCharge_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inline protected
getTotalPenalty(Position i=0) | BALL::AssignBondOrderProcessor | inline
getTotalPenalty_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inline protected
hasValidOptions() | BALL::AssignBondOrderProcessor | inline
ILPBondOrderStrategy class | BALL::AssignBondOrderProcessor | friend
index_to_bond_ | BALL::AssignBondOrderProcessor | protected
KGreedyBondOrderStrategy class | BALL::AssignBondOrderProcessor | friend
last_applied_solution_ | BALL::AssignBondOrderProcessor | protected
max_bond_order_ | BALL::AssignBondOrderProcessor | protected
max_number_of_solutions_ | BALL::AssignBondOrderProcessor | protected
max_penalty_ | BALL::AssignBondOrderProcessor | protected
num_of_free_bonds_ | BALL::AssignBondOrderProcessor | protected
num_of_virtual_bonds_ | BALL::AssignBondOrderProcessor | protected
number_of_virtual_hydrogens_ | BALL::AssignBondOrderProcessor | protected
operator()(AtomContainer &ac) | BALL::AssignBondOrderProcessor | virtual
operator=(const AssignBondOrderProcessor &abop) | BALL::AssignBondOrderProcessor | protected
options | BALL::AssignBondOrderProcessor |
PartialBondOrderAssignment class | BALL::AssignBondOrderProcessor | friend
penalties_ | BALL::AssignBondOrderProcessor | protected
PQ_Entry_ class | BALL::AssignBondOrderProcessor | friend
preassignPenaltyClasses_() | BALL::AssignBondOrderProcessor | protected
precomputeBondLengthPenalties_() | BALL::AssignBondOrderProcessor | protected
readAtomPenalties_() | BALL::AssignBondOrderProcessor | protected
readOptions_() | BALL::AssignBondOrderProcessor | protected
resetBondOrders() | BALL::AssignBondOrderProcessor |
result_type typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
setDefaultOptions() | BALL::AssignBondOrderProcessor |
solutions_ | BALL::AssignBondOrderProcessor | protected
start() | BALL::AssignBondOrderProcessor | virtual
starting_configuration_ | BALL::AssignBondOrderProcessor | protected
storeOriginalConfiguration_() | BALL::AssignBondOrderProcessor | protected
strategies_ | BALL::AssignBondOrderProcessor | protected
timer_ | BALL::AssignBondOrderProcessor | protected
total_num_of_bonds_ | BALL::AssignBondOrderProcessor | protected
UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | inline
UnaryProcessor(const UnaryProcessor &) | BALL::UnaryProcessor< AtomContainer > | inline
use_fine_penalty_ | BALL::AssignBondOrderProcessor | protected
valid_ | BALL::AssignBondOrderProcessor | protected
virtual_bond_ | BALL::AssignBondOrderProcessor | protected
virtual_bond_index_to_atom_ | BALL::AssignBondOrderProcessor | protected
virtual_bond_index_to_number_of_virtual_hydrogens_ | BALL::AssignBondOrderProcessor | protected
~AssignBondOrderProcessor() | BALL::AssignBondOrderProcessor | virtual
~UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | inline virtual