/// <summary>
/// Handle mouse interaction with cells
/// </summary>
/// <param name="sender"></param>
/// <param name="e"></param>
public void MoleculeGrid_MouseDown(object sender, MouseEventArgs e)
{
int gri = MoleculeGrid.LastMouseDownRowIdx;
if (gri < 0 || gri >= StructureList.Count)
{
return;
}
if (e.Button == MouseButtons.Left) // left click
{
MoleculeListItem sli = StructureList[gri];
if (ListItemSelectedCallback != null) // callback defined?
{
ListItemSelectedCallback(sli);
}
}
else if (e.Button == MouseButtons.Right)
{
RtClickMenu.Show(WindowsHelper.GetMousePosition());;
}
return;
}
public void Setup(
MoleculeList structureList,
ListItemSelectedDelegate itemSelectedCallback)
{
DataTableMx dt;
DataRowMx dr;
InSetup = true;
StructureList = structureList;
ListItemSelectedCallback = itemSelectedCallback;
// Create DataTable if not done yet
if (DataTable == null)
{
dt = new DataTableMx();
DataTable = dt; // save ref to table
dt.Columns.Add("NameCol", typeof(string));
dt.Columns.Add("StructureCol", typeof(MoleculeMx));
dt.Columns.Add("DateCol", typeof(DateTime));
dt.Columns.Add("StructureTypeCol", typeof(string));
MoleculeGrid.SetupDefaultQueryManager(dt); // setup underlying QueryManager/QueryTable for current type
MoleculeGrid.SetupUnboundColumns(dt);
}
dt = DataTable;
// Add rows to DataTable
bool saveEnabled = dt.EnableDataChangedEventHandlers(false); // turn off change events while filling
if (structureList == null)
{
InSetup = false; return;
}
for (int ri = 0; ri < structureList.Count; ri++) // fill in the grid
{
MoleculeListItem sli = structureList[ri];
dr = dt.NewRow();
dr["NameCol"] = sli.Name;
dr["StructureCol"] = sli.Molecule;
dr["DateCol"] = sli.UpdateDate;
dr["StructureTypeCol"] = sli.MoleculeType;
dt.Rows.Add(dr);
}
MoleculeGrid.DataSource = dt; // make the data visible
BandedGridView.ClearSelection();
dt.EnableDataChangedEventHandlers(saveEnabled);
InSetup = false;
return;
}
/// <summary>
/// AddToFavoritesList
/// </summary>
/// <param name="molEditorCtl"></param>
/// <param name="searchType"></param>
public static void AddToFavoritesList(
MoleculeControl molEditorCtl,
StructureSearchType searchType)
{
MoleculeListItem sli = null;
DialogResult dr;
MoleculeMx mol = molEditorCtl.Molecule;
if (MoleculeMx.IsUndefined(mol))
{
return;
}
mol = mol.Clone(); // make a copy for the list
sli = FindStructure(mol, GetFavoriteStructuresList());
if (sli != null)
{
dr = MessageBoxMx.Show("The current molecule already exists in Favorites list under the name: " + sli.Name + "\r\n" +
"Do you still want the add the current query molecule to the Favorites list?", "Molecule already in Favorites", MessageBoxButtons.YesNoCancel);
if (dr != DialogResult.Yes)
{
return;
}
}
string name = molEditorCtl.GetTemporaryStructureTag();
name = InputBoxMx.Show("Enter the name that you want to assign to the molecule", "Enter Name", name);
if (Lex.IsUndefined(name))
{
return;
}
sli = new MoleculeListItem();
sli.Name = name;
sli.Molecule = mol;
sli.UpdateDate = DateTime.Now;
sli.MoleculeType = StructureSearchTypeUtil.StructureSearchTypeToExternalName(searchType);
FavoritesList.ItemList.Insert(0, sli);
SaveStructureList(FavoritesList, FavoritesPreferencesParmName);
return;
}
private void ViewMoleculeInNewWindowMenuItem_Click(object sender, EventArgs e)
{
int gri = MoleculeGrid.LastMouseDownRowIdx;
if (gri < 0 || gri >= StructureList.Count)
{
return;
}
MoleculeListItem sli = StructureList[gri];
if (!MoleculeMx.IsDefined(sli.Molecule))
{
return;
}
MoleculeViewer.ShowMolecule(sli.Molecule);
return;
}
void ListItemSelectedCallback(MoleculeListItem sli)
{
if (MolEditorCtl == null)
{
return;
}
if (sli == null)
{
DialogResult = DialogResult.Cancel;
return;
}
MoleculeMx mol = sli.Molecule;
MolEditorCtl.SetPrimaryTypeAndValue(mol.PrimaryFormat, mol.PrimaryValue);
MolEditorCtl.TagString = sli.Name + "\t" + sli.Molecule.PrimaryValue; // store name to use if molecule is unchanged
DialogResult = DialogResult.OK;
}
/// <summary>
/// AddToMruList
/// </summary>
/// <param name="molEditorCtl"></param>
/// <param name="searchType"></param>
public static void AddToMruList(
MoleculeControl molEditorCtl,
StructureSearchType searchType)
{
MoleculeListItem sli = null;
DialogResult dr;
MoleculeMx mol = molEditorCtl.Molecule;
if (Lex.IsUndefined(mol.PrimaryValue))
{
return;
}
mol = mol.Clone(); // make a copy of the mol
sli = FindStructure(mol, GetMruMoleculesList());
if (sli != null)
{
MruList.ItemList.Remove(sli);
}
sli = new MoleculeListItem();
sli.Name = molEditorCtl.GetTemporaryStructureTag(); // get any associated pre-edit mol name
sli.Molecule = mol;
sli.UpdateDate = DateTime.Now;
sli.MoleculeType = StructureSearchTypeUtil.StructureSearchTypeToExternalName(searchType);
MruList.ItemList.Insert(0, sli);
while (MruList.Count > MaxMruItems)
{
MruList.ItemList.RemoveAt(MaxMruItems - 1);
}
SaveStructureList(MruList, MruPreferencesParmName);
return;
}
public static MoleculeListItem FindStructure(
MoleculeMx query,
MoleculeList csl)
{
MoleculeListItem sli = null;
StructureMatcher sm = new StructureMatcher();
for (int si = 0; si < csl.Count; si++)
{
sli = csl[si];
if (sli.Molecule == null || sli.Molecule.IsNull)
{
continue;
}
if (sm.IsFSSMatch(query, sli.Molecule))
{
return(sli);
}
}
return(null);
}
