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< AtomContainer, Processor::Result > | |
argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_type typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
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< AtomContainer, Processor::Result > | |
const_argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
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 | inlineprotected |
getPenaltyClass_(Atom *atom) | BALL::AssignBondOrderProcessor | protected |
getQueueSize(Position i) | BALL::AssignBondOrderProcessor | inline |
getQueueSize_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inlineprotected |
getSolution(Position i) | BALL::AssignBondOrderProcessor | |
getTotalCharge(Position i) | BALL::AssignBondOrderProcessor | inline |
getTotalCharge_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inlineprotected |
getTotalPenalty(Position i=0) | BALL::AssignBondOrderProcessor | inline |
getTotalPenalty_(const BondOrderAssignment &sol) | BALL::AssignBondOrderProcessor | inlineprotected |
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< AtomContainer, Processor::Result > | |
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 > | inlinevirtual |