Package toxTree.query

Various classes

See:
          Description

Class Summary
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
 

Package toxTree.query Description

Various classes



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