Package | Description |
---|---|
org.openscience.cdk.smsd.algorithm.vflib.builder | |
org.openscience.cdk.smsd.algorithm.vflib.interfaces | |
org.openscience.cdk.smsd.algorithm.vflib.map |
Modifier and Type | Class and Description |
---|---|
class |
NodeBuilder
Class for building/storing nodes (atoms) in the graph with atom
query capabilities.
|
Modifier and Type | Method and Description |
---|---|
INode |
VFQueryBuilder.addNode(VFAtomMatcher matcher,
IAtom atom)
Add and return a node for a query atom
|
INode |
VFQueryBuilder.getNode(IAtom atom)
Return a node for a given atom else return null
|
INode |
VFQueryBuilder.getNode(int index)
Returns a node of the query mol at a given position.
|
INode |
EdgeBuilder.getSource()
Returns source Node.
|
INode |
EdgeBuilder.getTarget()
Returns target Node.
|
Modifier and Type | Method and Description |
---|---|
Iterable<INode> |
NodeBuilder.neighbors()
Returns neighbors.
|
Iterable<INode> |
VFQueryBuilder.nodes()
Returns nodes of the query.
|
Modifier and Type | Method and Description |
---|---|
IEdge |
VFQueryBuilder.connect(INode source,
INode target,
VFBondMatcher matcher)
Construct and return an edge for a given query and target node
|
IAtom |
VFQueryBuilder.getAtom(INode node)
Returns an atom associated with this node.
|
IEdge |
VFQueryBuilder.getEdge(INode source,
INode target)
Returns an edge associated between two nodes.
|
Modifier and Type | Method and Description |
---|---|
INode |
IQuery.getNode(int index)
Returns a node of the query mol at a given position.
|
INode |
IEdge.getSource()
Returns source Node.
|
INode |
IEdge.getTarget()
Returns target Node.
|
Modifier and Type | Method and Description |
---|---|
Map<INode,IAtom> |
IMapper.getFirstMap(IAtomContainer target)
Returns first solution map.
|
Map<INode,IAtom> |
IMapper.getFirstMap(TargetProperties target)
Returns first solution map.
|
Map<INode,IAtom> |
IState.getMap()
Returns the current mapping of query atoms onto target atoms.
|
List<Map<INode,IAtom>> |
IMapper.getMaps(IAtomContainer target)
Returns all solution map.
|
List<Map<INode,IAtom>> |
IMapper.getMaps(TargetProperties target)
Returns all solution map.
|
Iterable<INode> |
INode.neighbors()
Returns neighbors.
|
Iterable<INode> |
IQuery.nodes()
Returns nodes of the query.
|
Modifier and Type | Method and Description |
---|---|
IAtom |
IQuery.getAtom(INode node)
Returns an atom associated with this node.
|
IEdge |
IQuery.getEdge(INode source,
INode target)
Returns an edge associated between two nodes.
|
Modifier and Type | Method and Description |
---|---|
INode |
Match.getQueryNode()
Return query node
|
Modifier and Type | Method and Description |
---|---|
Map<INode,IAtom> |
VFMCSMapper.getFirstMap(IAtomContainer target)
Returns first solution map.
|
Map<INode,IAtom> |
VFMapper.getFirstMap(IAtomContainer target)
Returns first solution map.
|
Map<INode,IAtom> |
VFMCSMapper.getFirstMap(TargetProperties targetMolecule)
Returns first solution map.
|
Map<INode,IAtom> |
VFMapper.getFirstMap(TargetProperties targetMolecule)
Returns first solution map.
|
Map<INode,IAtom> |
VFState.getMap()
Returns the current mapping of query atoms onto target atoms.
|
List<Map<INode,IAtom>> |
VFMCSMapper.getMaps(IAtomContainer target)
Returns all solution map.
|
List<Map<INode,IAtom>> |
VFMapper.getMaps(IAtomContainer target)
Returns all solution map.
|
List<Map<INode,IAtom>> |
VFMCSMapper.getMaps(TargetProperties targetMolecule)
Returns all solution map.
|
List<Map<INode,IAtom>> |
VFMapper.getMaps(TargetProperties targetMolecule)
Returns all solution map.
|
Constructor and Description |
---|
Match(INode query,
IAtom target)
Constructor
|