Esempio n. 1
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        /// <summary>
        /// Perform a full structure search
        /// </summary>
        /// <param name="query"></param>
        /// <param name="target"></param>
        /// <param name="switches"></param>
        /// <returns></returns>

        public bool FullStructureMatch(
            ICdkMol query,
            ICdkMol target,
            string FullStructureSearchType = null)
        {
            CdkMol q = query as CdkMol;
            CdkMol t = target as CdkMol;

            var fs = new UniversalIsomorphismTester();

            if (fs.isIsomorph(q.NativeMol, t.NativeMol))
            {
                return(true);
            }
            else
            {
                return(false);
            }
        }