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_(Solution_ &solution)BALL::AssignBondOrderProcessor [protected]
argument_pointer typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
argument_reference typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
argument_type typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
AssignBondOrderProcessor()BALL::AssignBondOrderProcessor
AssignBondOrderProcessor(const AssignBondOrderProcessor &abop)BALL::AssignBondOrderProcessor [protected]
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]
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 typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
const_argument_reference typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
estimateAtomTypePenalty_(Atom *atom, Index atom_index, int fixed_valence, int fixed_virtual_order, int num_free_bonds, PQ_Entry_ &entry)BALL::AssignBondOrderProcessor [protected]
estimateBondLengthPenalty_(Index atom_index, const vector< Bond * > &free_bonds, int fixed_virtual_order, int fixed_valence, int num_free_bonds)BALL::AssignBondOrderProcessor [protected]
estimatePenalty_(PQ_Entry_ &entry, bool include_heuristic_term=true)BALL::AssignBondOrderProcessor [protected]
evaluatePenalty(AtomContainer *ac)BALL::AssignBondOrderProcessor
evaluation_mode_BALL::AssignBondOrderProcessor [protected]
finish()BALL::AssignBondOrderProcessor [virtual]
fixed_val_BALL::AssignBondOrderProcessor [protected]
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 Solution_ &sol)BALL::AssignBondOrderProcessor [inline, protected]
getPenaltyClass_(Atom *atom)BALL::AssignBondOrderProcessor [protected]
getQueueSize(Position i)BALL::AssignBondOrderProcessor [inline]
getQueueSize_(const Solution_ &sol)BALL::AssignBondOrderProcessor [inline, protected]
getSolution(Position i)BALL::AssignBondOrderProcessor
getTotalCharge(Position i)BALL::AssignBondOrderProcessor [inline]
getTotalCharge_(const Solution_ &sol)BALL::AssignBondOrderProcessor [inline, protected]
getTotalPenalty(Position i=0)BALL::AssignBondOrderProcessor [inline]
getTotalPenalty_(const Solution_ &sol)BALL::AssignBondOrderProcessor [inline, protected]
greedy_atom_type_penalty_BALL::AssignBondOrderProcessor [protected]
greedy_bond_length_penalty_BALL::AssignBondOrderProcessor [protected]
greedy_node_expansions_BALL::AssignBondOrderProcessor [protected]
HEURISTIC_INDEX enum nameBALL::AssignBondOrderProcessor [protected]
heuristic_index_BALL::AssignBondOrderProcessor [protected]
ilp_const_penalty_BALL::AssignBondOrderProcessor [protected]
ilp_index_to_free_bond_BALL::AssignBondOrderProcessor [protected]
ilp_number_of_free_bonds_BALL::AssignBondOrderProcessor [protected]
index_to_bond_BALL::AssignBondOrderProcessor [protected]
last_applied_solution_BALL::AssignBondOrderProcessor [protected]
max_bond_order_BALL::AssignBondOrderProcessor [protected]
max_number_of_solutions_BALL::AssignBondOrderProcessor [protected]
MEDIUM enum valueBALL::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]
optionsBALL::AssignBondOrderProcessor
penalties_BALL::AssignBondOrderProcessor [protected]
performAStarStep_()BALL::AssignBondOrderProcessor [protected]
performBranchAndBound_()BALL::AssignBondOrderProcessor [protected]
performGreedy_(PQ_Entry_ &entry, Size greedy_k=10)BALL::AssignBondOrderProcessor [protected]
PQ_Entry_ classBALL::AssignBondOrderProcessor [friend]
preassignPenaltyClasses_()BALL::AssignBondOrderProcessor [protected]
precomputeBondLengthPenalties_()BALL::AssignBondOrderProcessor [protected]
queue_BALL::AssignBondOrderProcessor [protected]
readAtomPenalties_()BALL::AssignBondOrderProcessor [protected]
readOptions_()BALL::AssignBondOrderProcessor [protected]
resetBondOrders()BALL::AssignBondOrderProcessor
result_type typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
setDefaultOptions()BALL::AssignBondOrderProcessor
SIMPLE enum valueBALL::AssignBondOrderProcessor [protected]
Solution classBALL::AssignBondOrderProcessor [friend]
solutions_BALL::AssignBondOrderProcessor [protected]
start()BALL::AssignBondOrderProcessor [virtual]
starting_configuration_BALL::AssignBondOrderProcessor [protected]
step_BALL::AssignBondOrderProcessor [protected]
storeOriginalConfiguration_()BALL::AssignBondOrderProcessor [protected]
TIGHT enum valueBALL::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]
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