joelib.algo.morgan.types

Overview

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Package joelib.algo.morgan.types

Provides classes for Morgan number generation and unique molecule numbering.

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Description

Class Summary

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.