Package | Description |
---|---|
uk.ac.ebi.centres | |
uk.ac.ebi.centres.ligand | |
uk.ac.ebi.centres.priority | |
uk.ac.ebi.centres.priority.descriptor |
Modifier and Type | Method and Description |
---|---|
Descriptor |
Centre.perceive(java.util.List<Ligand<A>> proximal,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
Descriptor |
Centre.perceive(PriorityRule<A> rule,
SignCalculator<A> calculator)
Perceives the descriptor for this centre given a priority rule and a calculator for the sign of the space.
|
int |
Centre.perceiveAuxiliary(java.util.Collection<Centre<A>> centres,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
Constructor and Description |
---|
DefaultPerceptor(PriorityRule<A> rule,
PriorityRule<A> auxRule,
SignCalculator<A> calculator) |
DefaultPerceptor(PriorityRule<A> rule,
PriorityRule<A> auxRule,
SignCalculator<A> calculator) |
Modifier and Type | Method and Description |
---|---|
Descriptor |
PlanarCentre.perceive(java.util.List<Ligand<A>> proximal,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
Descriptor |
TetrahedralCentre.perceive(java.util.List<Ligand<A>> proximal,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
Descriptor |
PlanarCentre.perceive(PriorityRule<A> rule,
SignCalculator<A> calculator) |
Descriptor |
TetrahedralCentre.perceive(PriorityRule<A> rule,
SignCalculator<A> calculator) |
int |
PlanarCentre.perceiveAuxiliary(java.util.Collection<Centre<A>> centres,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
int |
TetrahedralCentre.perceiveAuxiliary(java.util.Collection<Centre<A>> centres,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
Modifier and Type | Class and Description |
---|---|
class |
AbstractPriorityRule<A>
An abstract comparator that provides construction of the
Comparison wrapper allowing subclasses to focus on
the actual comparison of ligands. |
class |
AtomicNumberRule<A>
An abstract class for constitutional priority based on atomic number.
|
class |
CombinedRule<A>
A priority rule made up of other rules.
|
class |
DuplicateAtomRule<A> |
class |
MassNumberRule<A>
An abstract class for constitutional priority based on mass number.
|
Modifier and Type | Method and Description |
---|---|
void |
CombinedRule.add(PriorityRule<A> rule)
Add a priority rule to the compound rule.
|
Modifier and Type | Method and Description |
---|---|
LigandSorter<A> |
CombinedRule.createSorter(java.util.List<PriorityRule<A>> rules) |
Constructor and Description |
---|
CombinedRule(PriorityRule<A>... rules)
Creates a combined rule from several provided sub-rules.
|
InsertionSorter(PriorityRule<A> comparator) |
Constructor and Description |
---|
InsertionSorter(java.util.List<PriorityRule<A>> comparators) |
InsertionSorter(java.util.List<PriorityRule<A>> comparators,
PriorityRule.Type restrict) |
Modifier and Type | Class and Description |
---|---|
class |
DescriptorRule<A>
A configurable descriptor rule that allows ranking of ligands based on their descriptors.
|
class |
PairRule<A>
A descriptor pair rule.
|
class |
RSRule<A>
A rule with prioritises ligands in R configuration over those in S configuration.
|
class |
ZERule<A>
A rule with prioritises ligands in Z (cis) configuration over those in E (trans) configuration.
|