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The Octet Molecular Representation Framework v0.8.2 | |||||||||
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See:
Description
| Interface Summary | |
| AtomQuery | The root interface for all Atom queries. |
| ConfigurationComparator | A comparator of Configuration. |
| ConformationComparator | A comparator of Conformations. |
| MoleculeQuery | A Molecule query. |
| MoleculeQueryBuilder | A builder of MoleculeQueries. |
| MoleculeQueryStrategy | A strategy for MoleculeQueries. |
| PaddleWheelComparator | A comparator of PaddleWheels. |
| Class Summary | |
| AllCyclesMoleculeQuery | Queries the set of all cycles in a Molecule. |
| BasicConfigurationComparator | A default implementation of the ConfigurationComparator interface. |
| BasicConformationComparator | A default implementation of the ConformationComparator interface. |
| BasicMoleculeQueryBuilder | A default implementation of the MoleculeQueryBuilder interface. |
| BasicPaddleWheelComparator |
A default implementation of the PaddleWheelComparator interface. |
| BilateralQueryStrategy | A MoleculeQueryStrategy consistent with exact structure matching. |
| CachedMoleculeQuery |
An implementation of the MoleculeQuery interface that enables
query results to be cached to improve performance. |
| PaddleWheelInvertor | Inverts the polarity of the PaddleWheel that it decorates. |
| TemplateAtomQuery |
An implementation of the AtomQuery interface in which an existing
Atom is used as a template for comparing other Atoms. |
| TemplateMoleculeQuery | A query that uses a Molecule as a template. |
| UnilateralQueryStrategy | A MoleculeQueryStrategy that is consistent with substructure searches. |
| WildcardAtomQuery | An implementation of AtomQuery that matches all Atoms. |
Molecular query support.
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The Octet Molecular Representation Framework v0.8.2 | |||||||||
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