Package | Description |
---|---|
org.openscience.smsd.algorithm.matchers | |
org.openscience.smsd.algorithm.vflib.builder | |
org.openscience.smsd.algorithm.vflib.interfaces | |
org.openscience.smsd.ring |
Modifier and Type | Class and Description |
---|---|
class |
DefaultAtomMatcher
Checks if atom is matching between query and target molecules.
|
class |
DefaultAtomTypeMatcher
Checks if atom is matching between query and target molecules.
|
Modifier and Type | Method and Description |
---|---|
AtomMatcher |
NodeBuilder.getAtomMatcher()
Returns Query Atom.
|
Modifier and Type | Method and Description |
---|---|
INode |
VFQueryBuilder.addNode(AtomMatcher matcher,
org.openscience.cdk.interfaces.IAtom atom)
Add and return a node for a query atom
|
Constructor and Description |
---|
NodeBuilder(AtomMatcher matcher)
Construct a node for a query atom
|
Modifier and Type | Method and Description |
---|---|
AtomMatcher |
INode.getAtomMatcher()
Returns Query Atom.
|
Constructor and Description |
---|
RingFilter(AtomMatcher filter) |