Examples with SimpleCycle org.openscience.cdk.ringsearch.cyclebasis.SimpleCycle used on opensource projects

Example 1 with SimpleCycle

use of org.openscience.cdk.ringsearch.cyclebasis.SimpleCycle in project Smiles2Monomers by yoann-dufresne.

the class Planarity method testCycles.

private boolean testCycles(Biconnected bc) {
    Set<SimpleCycle> cycles = bc.getSeparatedCycles();
    Iterator<SimpleCycle> i = cycles.iterator();
    if (!i.hasNext())
        return true;
    SimpleCycle mainCycle = i.next();
    List<Segment> segments = bc.getSegments(mainCycle);
    switch(segments.size()) {
        case 0:
            return true;
        case 1:
            Segment s = segments.get(0);
            if (s.isStringIn(mainCycle))
                return true;
            else {
                System.err.println("TODO : find separated cycle");
                return false;
            }
        default:
            SimpleGraph comp = new CompatibilityGraph(mainCycle, segments);
            if (!this.tc.isTwoColorable(comp))
                return false;
            else {
                for (Segment s2 : segments) if (!this.isPlanar(s2))
                    return false;
                return true;
            }
    }
}

Example 2 with SimpleCycle

use of org.openscience.cdk.ringsearch.cyclebasis.SimpleCycle in project Smiles2Monomers by yoann-dufresne.

the class Biconnected method getSeparatedCycles.

public Set<SimpleCycle> getSeparatedCycles() {
    Set<SimpleCycle> sepCycles = new HashSet<>();
    Iterator<SimpleCycle> i = cycles.iterator();
    while (i.hasNext()) {
        SimpleCycle c = i.next();
        if (this.getSegments(c).size() >= 2)
            sepCycles.add(c);
    }
    return sepCycles;
}