Exemplo n.º 1
0
        //This function is updated by Asad to include more matches

        private bool MatchAtoms(Match match)
        {
            IAtom atom = match.TargetAtom;

            if (match.QueryNode.CountNeighbors() > target.CountNeighbors(atom))
            {
                return(false);
            }
            return(match.QueryNode.AtomMatcher.Matches(target, atom));
        }
Exemplo n.º 2
0
        private bool MatchMaximumNeighbors(TargetProperties targetContainer, IAtom targetAtom)
        {
            if (maximumNeighbors == -1 || !IsBondMatchFlag)
            {
                return(true);
            }

            int maximumTargetNeighbors = targetContainer.CountNeighbors(targetAtom);

            return(maximumTargetNeighbors <= maximumNeighbors);
        }
Exemplo n.º 3
0
 private static int GetUnsaturation(TargetProperties container, IAtom atom)
 {
     return(GetValency(atom) - container.CountNeighbors(atom));
 }