BALL::AssignBondOrderProcessor Member List

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

ac_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
add_missing_hydrogens_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
alpha_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
apply(Position i)	BALL::AssignBondOrderProcessor
apply_(Solution_ &solution)	BALL::AssignBondOrderProcessor	[protected]
argument_pointer typedef (defined in BALL::UnaryFunctor< AtomContainer, Processor::Result >)	BALL::UnaryFunctor< AtomContainer, Processor::Result >
argument_reference typedef (defined in BALL::UnaryFunctor< AtomContainer, Processor::Result >)	BALL::UnaryFunctor< AtomContainer, Processor::Result >
argument_type typedef (defined in BALL::UnaryFunctor< AtomContainer, Processor::Result >)	BALL::UnaryFunctor< AtomContainer, Processor::Result >
AssignBondOrderProcessor()	BALL::AssignBondOrderProcessor
AssignBondOrderProcessor(const AssignBondOrderProcessor &abop)	BALL::AssignBondOrderProcessor
atom_to_block_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
atom_to_virtual_bond_index_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
atom_type_normalization_factor_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
BALL_CREATE(AssignBondOrderProcessor) (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor
block_definition_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
block_to_length_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
block_to_start_idx_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
block_to_start_valence_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
bond_fixed_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
bond_length_normalization_factor_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
bond_lengths_penalties_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
bond_to_index_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
clear()	BALL::AssignBondOrderProcessor
compute_also_connectivity_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
compute_also_non_optimal_solutions_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
computeNextSolution(bool apply_solution=true)	BALL::AssignBondOrderProcessor
computeVirtualHydrogens_(Atom *atom)	BALL::AssignBondOrderProcessor	[protected]
const_argument_pointer typedef (defined in BALL::UnaryFunctor< AtomContainer, Processor::Result >)	BALL::UnaryFunctor< AtomContainer, Processor::Result >
const_argument_reference typedef (defined in BALL::UnaryFunctor< AtomContainer, Processor::Result >)	BALL::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_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
free_bonds_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
getAtomContainer()	BALL::AssignBondOrderProcessor
getAtomContainer() const	BALL::AssignBondOrderProcessor
getNumberOfAddedHydrogens(Position i)	BALL::AssignBondOrderProcessor
getNumberOfComputedSolutions()	BALL::AssignBondOrderProcessor
getNumberOfNodeExpansions(Position i) (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor
getNumberOfNodeExpansions_(const Solution_ &sol) (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
getPenaltyClass_(Atom *atom)	BALL::AssignBondOrderProcessor	[protected]
getQueueSize(Position i) (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor
getQueueSize_(const Solution_ &sol) (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
getSolution(Position i)	BALL::AssignBondOrderProcessor
getTotalCharge(Position i)	BALL::AssignBondOrderProcessor
getTotalCharge_(const Solution_ &sol)	BALL::AssignBondOrderProcessor	[protected]
getTotalPenalty(Position i)	BALL::AssignBondOrderProcessor
getTotalPenalty_(const Solution_ &sol)	BALL::AssignBondOrderProcessor	[protected]
greedy_atom_type_penalty_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
greedy_bond_length_penalty_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
greedy_node_expansions_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
HEURISTIC_INDEX enum name (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
heuristic_index_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
ilp_const_penalty_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
ilp_index_to_free_bond_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
ilp_number_of_free_bonds_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
index_to_bond_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
last_applied_solution_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
max_bond_order_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
max_number_of_solutions_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
MEDIUM enum value (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
num_of_free_bonds_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
num_of_virtual_bonds_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
number_of_virtual_hydrogens_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
operator()(AtomContainer &ac)	BALL::AssignBondOrderProcessor	[virtual]
operator=(const AssignBondOrderProcessor &abop)	BALL::AssignBondOrderProcessor
options	BALL::AssignBondOrderProcessor
penalties_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
performAStarStep_()	BALL::AssignBondOrderProcessor	[protected]
performBranchAndBound_() (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
performGreedy_(PQ_Entry_ &entry, Size greedy_k=10) (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
PQ_Entry_ (defined in BALL::AssignBondOrderProcessor)	BALL::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 typedef (defined in BALL::UnaryFunctor< AtomContainer, Processor::Result >)	BALL::UnaryFunctor< AtomContainer, Processor::Result >
setDefaultOptions()	BALL::AssignBondOrderProcessor
SIMPLE enum value (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
Solution (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[friend]
solutions_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
start()	BALL::AssignBondOrderProcessor	[virtual]
starting_configuration_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
step_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
storeOriginalConfiguration_()	BALL::AssignBondOrderProcessor	[protected]
TIGHT enum value (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
timer_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
total_num_of_bonds_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
UnaryProcessor()	BALL::UnaryProcessor< AtomContainer >
UnaryProcessor(const UnaryProcessor &)	BALL::UnaryProcessor< AtomContainer >
use_fine_penalty_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
valid_	BALL::AssignBondOrderProcessor	[protected]
virtual_bond_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
virtual_bond_index_to_atom_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
virtual_bond_index_to_number_of_virtual_hydrogens_ (defined in BALL::AssignBondOrderProcessor)	BALL::AssignBondOrderProcessor	[protected]
~AssignBondOrderProcessor()	BALL::AssignBondOrderProcessor	[virtual]
~UnaryProcessor()	BALL::UnaryProcessor< AtomContainer >	[virtual]