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See:
Description
Class Summary | |
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AliphaticCHQueryAtom | Matches if not aromatic and of type set |
AssociationQueryBond | TODO add description |
CHQueryAtom | This is to match a hydrocarbon atom in subgraph query Molecule should be preprocessed with FunctionalGroups.markCHn(), otherwise results will not be correct |
FunctionalGroups | This class provides static methods for various functional groups In addition there are several static methods to manipulate searching |
MolAnalyser | |
MolFlags | |
MyAssociationBond | Modified 2005-9-23 Modified 2012-2-25 |
QueryAtomContainers | TODO add description |
ReallyAnyAtom | To be used instead of org.openscience.cdk.isomorphism.matchers.smarts.AnyAtom until its matcher code is fixed |
SimpleReactions | Handles hydrolysis and couple of metabolic reactions necessary to implement Cramer rules Intended to be a general class to perform reactions on arbitrary molecules ... |
SingleOrDoubleQueryBond | TODO add description |
TopologyAnyAtom | TODO add description |
TopologyAnyBond | TODO add description |
TopologyOrderQueryBond | The same as OrderQueryBond
with additional condition to be acyclic or cyclic. |
TopologySymbolQueryAtom | TODO add description |
Various classes
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