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Package joelib.algo.morgan

Provides classes for calculating Depth First Search (DFS) [] Breadth First Search (BFS) [] on molecular graphs.

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          Description

Interface Summary
SingleTieResolver Interface for resolving renumbering ties.
TieResolver Interface for resolving renumbering ties.
 

Class Summary
AtomDouble Helper class for resolving renumbering ties.
AtomDoubleComparator Comparator for resolving renumbering ties..
AtomDoubleParent Helper class for resolving renumbering ties.
Morgan Morgan number generation and unique molecule numbering.
MorganTest Unique molecule numbering test.
 

Package joelib.algo.morgan Description

Provides classes for calculating Depth First Search (DFS) [] Breadth First Search (BFS) [] on molecular graphs. And additional algorithms, like Morgan's algorithm for the unique numbering of molecules are also available.