public override void SearchMCS(bool shouldMatchBonds)
{
IList <IReadOnlyList <int> > mappings = null;
try
{
if (source.Atoms.Count >= target.Atoms.Count)
{
mappings = MCSPlus.GetOverlaps(source, target, shouldMatchBonds);
}
else
{
flagExchange = true;
mappings = MCSPlus.GetOverlaps(target, source, shouldMatchBonds);
}
PostFilter.Filter(mappings);
SetAllMapping();
SetAllAtomMapping();
SetFirstMapping();
SetFirstAtomMapping();
}
catch (CDKException)
{
mappings = null;
}
}
/// <summary>
/// Creates index new instance of Bron Kerbosch Cazals Karande Koch Clique Finder
/// This class implements Bron-Kerbosch clique detection algorithm as it is
/// described in [F. Cazals, vertexOfCurrentClique. Karande: An Algorithm for reporting maximal c-cliques;
/// processedVertex.Comp. Sc. (2005); vol 349; pp.
/// 484-490]
/// </summary>
/// <param name="compGraphNodesOrg"></param>
/// <param name="cEdgesOrg">C-Edges set of allowed edges</param>
/// <param name="dEdgesOrg">D-Edges set of prohibited edges</param>
internal BKKCKCF(IReadOnlyList <int> compGraphNodesOrg, IReadOnlyList <int> cEdgesOrg, IReadOnlyList <int> dEdgesOrg)
{
MCSPlus.SetTimeManager(new TimeManager());
this.compGraphNodes = compGraphNodesOrg;
this.cEdges = cEdgesOrg;
this.dEdges = dEdgesOrg;
bestCliqueSize = 0;
//Orignal assignment as per paper
dEdgeIterationSize = dEdges.Count / 2;
//Orignal assignment as per paper
cEdgeIterationSize = cEdges.Count / 2;
//Initialization maxCliquesSet
maxCliquesSet = new List <IReadOnlyList <int> >();
Init();
}
public void TestSomeMethod()
{
// TODO review the generated test code and remove the default call to fail.
Assert.IsNotNull(MCSPlus.GetOverlaps(new AtomContainer(), new AtomContainer(), true));
}
