Beispiel #1
0
        /// <summary>
        /// SetStereoChemistryComments in structure object
        /// </summary>
        /// <param name="cs"></param>
        /// <param name="comments"></param>
        /// <param name="cid"></param>

        public static void SetStereochemistryComments(
            MoleculeMx cs,
            string comments,
            string cid)
        {
            if (Lex.IsUndefined(comments) || !ShowStereoComments)
            {
                return;
            }

            if (!ClientState.IsNativeSession)
            {
                return;                                     // don't include if not native session (i.e regular Mobius Client)
            }
            cs.SetMolComments("CorpId=" + cid);             // indicate this is an CorpId

            if (cs.PrimaryFormat == MoleculeFormat.Unknown)
            {             // be sure defined
                cs.SetPrimaryTypeAndValue(MoleculeFormat.Chime, "");
            }

            try { cs.CreateStructureCaption(comments); }
            catch (Exception ex)
            { DebugLog.Message("CreateStructureCaption exception for compound: " + cid); }             // issue #216

            return;
        }