public final class AllPairsShortestPaths extends Object
IAtomContainer benzene = MoleculeFactory.makeBenzene();
AllPairsShortestPaths apsp = new AllPairsShortestPaths(benzene);
for (int i = 0; i < benzene.getAtomCount(); i++) {
// only to half the comparisons, we can reverse the
// path[] to get all j to i
for (int j = i + 1; j < benzene.getAtomCount(); j++) {
// reconstruct shortest path from i to j
int[] path = apsp.from(i).pathTo(j);
// reconstruct all shortest paths from i to j
int[][] paths = apsp.from(i).pathsTo(j);
// reconstruct the atoms in the path from i to j
IAtom[] atoms = apsp.from(i).atomsTo(j);
// access the number of paths from i to j
int nPaths = apsp.from(i).nPathsTo(j);
// access the distance from i to j
int distance = apsp.from(i).nPathsTo(j);
}
}
ShortestPaths| Constructor and Description |
|---|
AllPairsShortestPaths(IAtomContainer container)
Create a new all shortest paths utility for an
IAtomContainer. |
| Modifier and Type | Method and Description |
|---|---|
ShortestPaths |
from(IAtom start)
Access the shortest paths object for provided start atom.
|
ShortestPaths |
from(int start)
Access the shortest paths object for provided start vertex.
|
public AllPairsShortestPaths(IAtomContainer container)
IAtomContainer.container - the molecule of which to find the shortest pathspublic ShortestPaths from(int start)
AllPairsShortestPaths apsp = ...; // access explicitly ShortestPaths sp = asp.from(0); // or chain method calls int[] path = asp.from(0).pathTo(5);
start - the start vertex of the pathShortestPathspublic ShortestPaths from(IAtom start)
AllPairsShortestPaths apsp = ...; IAtom start, end = ...; // access explicitly ShortestPaths sp = asp.from(start); // or chain the method calls together // first path from start to end atom int[] path = asp.from(start).pathTo(end); // first atom path from start to end atom IAtom[] atoms = asp.from(start).atomTo(end);
start - the start atom of the pathShortestPathsCopyright © 2022. All rights reserved.