/// <summary>
/// Retrieve a saved molecule and store in Renditor
/// </summary>
/// <param name="ctl"></param>
public static void RetrieveSavedMolecule(MoleculeControl molCtl)
{
MoleculeMx cs;
string fileName = null;
if (!UIMisc.ReadMoleculeFileDialog(out cs, out fileName))
{
return;
}
molCtl.SetupAndRenderMolecule(cs);
molCtl.SetTemporaryMoleculeTag(Path.GetFileNameWithoutExtension(fileName)); // associate the file name in case saved as history/favorite
return;
}
/// <summary>
/// Retrieve an existing molecule and store in MoleculeControl
/// </summary>
/// <param name="molCtl"></param>
/// <param name="mc"></param>
public static void RetrieveDatabaseStructure(
MoleculeControl molCtl,
MetaColumn mc)
{
MetaTable mt = null;
string cid = "", txt;
txt = "compound id";
if (mc != null)
{
mt = mc.MetaTable;
txt += " (" + mt.KeyMetaColumn.Label + ", etc.)";
}
txt = "Enter the " + txt + " that you want to use as a model.";
while (true)
{
cid = InputCompoundId.Show(txt, "Retrieve Molecule from Database", cid, mt);
if (String.IsNullOrEmpty(cid))
{
return;
}
string molString = InputCompoundId.Molecule.PrimaryValue;
if (String.IsNullOrEmpty(molString))
{
MessageBoxMx.ShowError("Compound number is not in the database, try again.");
continue;
}
MoleculeMx cs = InputCompoundId.Molecule;
cs.RemoveStructureCaption(); // remove any caption
molCtl.SetPrimaryTypeAndValue(cs.PrimaryFormat, cs.PrimaryValue); // set mol
molCtl.SetTemporaryMoleculeTag(cid); // associate the cid in case saved as history/favorite
break;
}
}
