void Main()
{
IQueryAtomContainer query = null;
IAtomContainer mol = null;
#region
var state = new DfState(query);
state.SetMol(mol);
int count = 0;
foreach (int[] amap in state)
{
// amap is permutation of query to molecule
++count;
}
#endregion
}
/// <inheritdoc/>
public override Mappings MatchAll(IAtomContainer mol)
{
if (mol.Atoms.Count < query.Atoms.Count)
{
return(new Mappings(query, mol, Array.Empty <int[]>()));
}
if (mol.Atoms.Count > 0)
{
CheckCompatibleAPI(mol.Atoms[0]);
}
var local = new DfState(state);
local.SetMol(mol);
var mappings = new Mappings(query, mol, local);
return(Filter(mappings, query, mol));
}
