| Class | Description |
|---|---|
| AliphaticCHQueryAtom |
Matches if not aromatic and of type set
|
| 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
|
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