Exemple #1
0
 public static MoleculeEditor GetInstance()
 {
     if (_instance == null)
     {
         _instance = new MoleculeEditor();
     }
     return(_instance);
 }
Exemple #2
0
        private void DelayedEditMolecule(object arg)
        {
            try
            {
                int    ci  = (int)arg;
                string txt = Criteria.Text.Substring(ci + 16);                 // pick up structure name
                int    i1  = txt.IndexOf("]");
                if (i1 < 0)
                {
                    return;
                }
                string sid = txt.Substring(0, i1).Trim().ToUpper();

                string chime = "";
                if (LabeledCriteria.Structures.ContainsKey(sid))
                {
                    chime = LabeledCriteria.Structures[sid];
                }
                MoleculeMx mol = new MoleculeMx(MoleculeFormat.Chime, chime);

                MoleculeMx mol2 = MoleculeEditor.Edit(mol, MoleculeRendererType.Unknown, "Edit Structure");
                if (mol2 == null)
                {
                    return;
                }

                if (mol2.IsChemStructureFormat)                 // store chime for chem structure
                {
                    mol2.ConvertTo(MoleculeFormat.Chime);
                }

                LabeledCriteria.Structures[sid] = mol2.GetPrimaryTypeAndValueString();
                return;
            }

            catch (Exception ex)
            {
                return;
            }
        }