/// <inheritdoc/>
/// <param name="targetMolecule">targetMolecule graph</param>
public bool HasMap(TargetProperties targetMolecule)
{
IState state = new VFState(query, targetMolecule);
maps.Clear();
return(MapFirst(state));
}
/// <inheritdoc/>
/// <param name="targetMolecule">targetMolecule graph</param>
public bool HasMap(IAtomContainer targetMolecule)
{
IState state = new VFState(query, new TargetProperties(targetMolecule));
maps.Clear();
return(MapFirst(state));
}
public int CountMaps(TargetProperties targetMolecule)
{
IState state = new VFState(query, targetMolecule);
maps.Clear();
MapAll(state);
return(maps.Count);
}
public IReadOnlyDictionary <INode, IAtom> GetFirstMap(TargetProperties targetMolecule)
{
IState state = new VFState(query, targetMolecule);
maps.Clear();
MapFirst(state);
return(maps.Count == 0 ? new Dictionary <INode, IAtom>() : maps[0]);
}
public IReadOnlyList <IReadOnlyDictionary <INode, IAtom> > GetMaps(TargetProperties targetMolecule)
{
IState state = new VFState(query, targetMolecule);
maps.Clear();
MapAll(state);
return(new List <IReadOnlyDictionary <INode, IAtom> >(maps));
}
public int CountMaps(IAtomContainer target)
{
IState state = new VFState(query, new TargetProperties(target));
maps.Clear();
MapAll(state);
return(maps.Count);
}
public IReadOnlyDictionary <INode, IAtom> GetFirstMap(IAtomContainer target)
{
IState state = new VFState(query, new TargetProperties(target));
maps.Clear();
MapFirst(state);
return(maps.Count == 0 ? new Dictionary <INode, IAtom>() : maps[0]);
}
public IReadOnlyList <IReadOnlyDictionary <INode, IAtom> > GetMaps(IAtomContainer target)
{
IState state = new VFState(query, new TargetProperties(target));
maps.Clear();
MapAll(state);
return(new List <IReadOnlyDictionary <INode, IAtom> >(maps));
}
private VFState(VFState state, Match match)
{
this.candidates = new List <Match>();
this.queryPath = new List <INode>(state.queryPath);
this.targetPath = new List <IAtom>(state.targetPath);
this.map = state.map;
this.query = state.query;
this.target = state.target;
map[match.QueryNode] = match.TargetAtom;
queryPath.Add(match.QueryNode);
targetPath.Add(match.TargetAtom);
LoadCandidates(match);
}
