/// <summary>
/// Add and return a node for a query atom
/// </summary>
/// <returns>added Node</returns>
public INode AddNode(IVFAtomMatcher matcher, IAtom atom)
{
NodeBuilder node = new NodeBuilder(matcher);
nodesList.Add(node);
nodeBondMap[node] = atom;
return(node);
}
private IQuery Build(IAtomContainer queryMolecule)
{
VFQueryBuilder result = new VFQueryBuilder();
foreach (var atom in queryMolecule.Atoms)
{
IVFAtomMatcher matcher = CreateAtomMatcher(queryMolecule, atom);
if (matcher != null)
{
result.AddNode(matcher, atom);
}
}
for (int i = 0; i < queryMolecule.Bonds.Count; i++)
{
IBond bond = queryMolecule.Bonds[i];
IAtom atomI = bond.Begin;
IAtom atomJ = bond.End;
result.Connect(result.GetNode(atomI), result.GetNode(atomJ), CreateBondMatcher(queryMolecule, bond));
}
return(result);
}
/// <summary>
/// Construct a node for a query atom
/// <param name="matcher"></param>
/// </summary>
protected internal NodeBuilder(IVFAtomMatcher matcher)
{
edgesList = new List <IEdge>();
neighborsList = new List <INode>();
this.AtomMatcher = matcher;
}
