Package | Description |
---|---|
uk.ac.ebi.centres | |
uk.ac.ebi.centres.cdk | |
uk.ac.ebi.centres.graph | |
uk.ac.ebi.centres.ligand |
Modifier and Type | Method and Description |
---|---|
MutableDescriptor |
DescriptorManager.getDescriptor(A atom) |
MutableDescriptor |
DescriptorManager.getDescriptor(A first,
A second) |
Modifier and Type | Method and Description |
---|---|
MutableDescriptor |
CDKManager.getDescriptor(org.openscience.cdk.interfaces.IAtom atom) |
MutableDescriptor |
CDKManager.getDescriptor(org.openscience.cdk.interfaces.IAtom first,
org.openscience.cdk.interfaces.IAtom second) |
Modifier and Type | Method and Description |
---|---|
MutableDescriptor |
DefaultDescriptorManager.getDescriptor(A atom) |
MutableDescriptor |
DefaultDescriptorManager.getDescriptor(A first,
A second) |
Constructor and Description |
---|
Arc(Ligand<A> tail,
Ligand<A> head,
MutableDescriptor descriptor) |
Arc(Ligand<A> tail,
Ligand<A> head,
MutableDescriptor descriptor,
int depth) |
Constructor and Description |
---|
AbstractLigand(ConnectionProvider<A> provider,
java.util.Set<A> visited,
MutableDescriptor descriptor,
int distance) |
AbstractLigand(MutableDescriptor descriptor,
int distance) |
AbstractLigand(java.util.Set<A> visited,
MutableDescriptor descriptor,
int distance) |
NonterminalLigand(ConnectionProvider<A> provider,
MutableDescriptor descriptor,
A atom,
A parent,
int distance) |
NonterminalLigand(ConnectionProvider<A> provider,
MutableDescriptor descriptor,
java.util.Set<A> visited,
A atom,
A parent,
int distance) |
NonterminalLigand(MutableDescriptor descriptor,
A atom,
A parent,
int distance) |
NonterminalLigand(MutableDescriptor descriptor,
java.util.Set<A> visited,
A atom,
A parent,
int distance) |
PlanarCentre(A first,
A second,
MutableDescriptor descriptor) |
TerminalLigand(ConnectionProvider<A> provider,
MutableDescriptor descriptor,
A atom,
A parent,
int distance) |
TerminalLigand(ConnectionProvider<A> provider,
MutableDescriptor descriptor,
java.util.Set<A> visited,
A atom,
A parent,
int distance) |
TetrahedralCentre(MutableDescriptor descriptor,
A atom) |