BALL::AssignBondOrderProcessor::Algorithm Struct Reference

#include <BALL/STRUCTURE/assignBondOrderProcessor.h>

Static Public Attributes
static const String	A_STAR
static const String	ILP
static const String	FPT
static const String	K_GREEDY
static const String	BRANCH_AND_BOUND

Detailed Description

Definition at line 250 of file assignBondOrderProcessor.h.

Member Data Documentation

const String BALL::AssignBondOrderProcessor::Algorithm::A_STAR

static

Solves the problem using an A* formulation.

Definition at line 255 of file assignBondOrderProcessor.h.

const String BALL::AssignBondOrderProcessor::Algorithm::BRANCH_AND_BOUND

static

Definition at line 297 of file assignBondOrderProcessor.h.

const String BALL::AssignBondOrderProcessor::Algorithm::FPT

static

Solves the problem using an FPT algorithm.

NOTE: This algorithm does not support the method computeNextSolution() by design. Instead, you can use the options Option:MAX_NUMBER_OF_SOLUTIONS and Option::COMPUTE_ALSO_NON_OPTIMAL_SOLUTIONS to create an ensemble of solutions.

Furthermore, this option currently cannot be combined with the options: Option::USE_FINE_PENALTY , Option::BOND_LENGTH_WEIGHTING , Option::ADD_HYDROGENS , Option::COMPUTE_ALSO_CONNECTIVITY, Option::OVERWRITE_SELECTED_BONDS, and the special hack Option::MAX_NUMBER_OF_SOLUTIONS==0 to enumerate all optimal solutions.

See also

Option::USE_FINE_PENALTY,

Option::BOND_LENGTH_WEIGHTING,

Option::ADD_HYDROGENS,

Option::COMPUTE_ALSO_CONNECTIVITY,

Option::OVERWRITE_SELECTED_BONDS

Option::MAX_NUMBER_OF_SOLUTIONS

Definition at line 294 of file assignBondOrderProcessor.h.

const String BALL::AssignBondOrderProcessor::Algorithm::ILP

static

Solves the problem using an ILP.

NOTE: This option requires an ILP solver and currently cannot be combined with the options Option::USE_FINE_PENALTY , Option::BOND_LENGTH_WEIGHTING, Option::ADD_HYDROGENS, or Option::COMPUTE_ALSO_CONNECTIVITY .

Definition at line 267 of file assignBondOrderProcessor.h.

const String BALL::AssignBondOrderProcessor::Algorithm::K_GREEDY

static

Definition at line 296 of file assignBondOrderProcessor.h.