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joelib.algo.morgan.types.* (10)

joelib.algo.morgan: Javadoc index of package joelib.algo.morgan.


Package Samples:

joelib.algo.morgan.types: Provides classes for Morgan number generation and unique molecule numbering.  

Classes:

Morgan: Morgan number generation and unique molecule numbering.
AtomDoubleComparator: Comparator for resolving renumbering ties..
AtomDouble: Helper class for resolving renumbering ties.
AtomDoubleParent: Helper class for resolving renumbering ties.
SingleTieResolver: Interface for resolving renumbering ties.
TieResolver: Interface for resolving renumbering ties.
BasicTieResolver: Interface for resolving renumbering ties.
SingleTieResolverBO: Interface for resolving renumbering ties.
SingleTieResolverDistance: Interface for resolving renumbering ties.
SingleTieResolverElectrons: Interface for resolving renumbering ties.
SingleTieResolverElement: Interface for resolving renumbering ties.
SingleTieResolverENGrad: Interface for resolving renumbering ties.
SingleTieResolverGraphPot: Interface for resolving renumbering ties.
SingleTieResolverImpVal: Interface for resolving renumbering ties.
SingleTieResolverImpValGrad: Interface for resolving renumbering ties.
SingleTieResolverPartCh: Interface for resolving renumbering ties.
MorganTest: Unique molecule numbering test.

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