BALL  1.4.1
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Static Public Attributes
BALL::AssignBondOrderProcessor::Algorithm Struct Reference

#include <BALL/STRUCTURE/assignBondOrderProcessor.h>

List of all members.

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 235 of file assignBondOrderProcessor.h.


Member Data Documentation

Solves the problem using an A* formulation.

Definition at line 240 of file assignBondOrderProcessor.h.

Definition at line 282 of file assignBondOrderProcessor.h.

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 279 of file assignBondOrderProcessor.h.

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 252 of file assignBondOrderProcessor.h.

Definition at line 281 of file assignBondOrderProcessor.h.

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