| Package | Description |
|---|---|
| org.pistoiaalliance.helm.HELMSimilarityLibrary | |
| org.pistoiaalliance.helm.HELMSimilarityLibrary.utils |
| Modifier and Type | Method and Description |
|---|---|
void |
PathGenerator.findPaths(Graph moleculeGraph)
Calls depthFirstSearch for every monomer (vertex).
|
| Modifier and Type | Method and Description |
|---|---|
static Graph |
MoleculeGraphUtils.addConnections(Graph moleculeGraph,
List<org.helm.notation2.parser.notation.polymer.PolymerNotation> polymerList,
List<org.helm.notation2.parser.notation.connection.ConnectionNotation> listOfConnections)
Adds the connections between polymers of the molecule.
|
static Graph |
MoleculeGraphUtils.buildChemPart(org.helm.notation2.parser.notation.polymer.PolymerNotation polymer,
int polymerNumber)
Builds the CHEM part of the molecule.
|
static Graph |
MoleculeGraphUtils.buildMoleculeGraph(List<org.helm.notation2.parser.notation.polymer.PolymerNotation> listPolymerNotations,
List<org.helm.notation2.parser.notation.connection.ConnectionNotation> listOfConnections)
* Method builds a moleculeGraph from a list of PolymerNotations and a
* list of Connections.
|
static Graph |
MoleculeGraphUtils.buildPeptidePart(org.helm.notation2.parser.notation.polymer.PolymerNotation polymer,
int polymerNumber)
Builds the PEPTIDE part of the molecule.
|
static Graph |
MoleculeGraphUtils.buildRNAPart(org.helm.notation2.parser.notation.polymer.PolymerNotation polymer,
int polymerNumber)
Builds the RNA part of the molecule.
|
| Modifier and Type | Method and Description |
|---|---|
void |
Graph.addAllVertices(Graph graph) |
static Graph |
MoleculeGraphUtils.addConnections(Graph moleculeGraph,
List<org.helm.notation2.parser.notation.polymer.PolymerNotation> polymerList,
List<org.helm.notation2.parser.notation.connection.ConnectionNotation> listOfConnections)
Adds the connections between polymers of the molecule.
|
boolean |
Graph.equals(Graph otherGraph) |
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