/// <summary>
///
/// </summary>
/// <param name="gridPanel"></param>
/// <param name="qm"></param>
public static void DisplayData(
MoleculeGridPanel gridPanel,
QueryManager qm)
{
if (gridPanel == null) // if grid panel not defined assume display is in normal results panel
{
gridPanel = SessionManager.Instance.QueryResultsControl.MoleculeGridPageControl.MoleculeGridPanel;
QbUtil.SetMode(QueryMode.Browse); // put into browse mode
}
else if (gridPanel.Parent is PopupGrid) // display in popup grid
{
PopupGrid pug = gridPanel.Parent as PopupGrid;
pug.Initialize(qm); // be sure popup is initialized
WindowsHelper.FitFormOnScreen(pug);
pug.Show();
}
MoleculeGridControl grid = qm.MoleculeGrid;
gridPanel.Visible = true;
grid.Visible = true;
grid.DataSource = qm.DataTable; // set the datasource for the grid to the datatable
RefreshDataDisplay(qm);
}
/// <summary>
/// Process queued command
/// </summary>
/// <param name="sender"></param>
/// <param name="e"></param>
private void Timer_Tick(object sender, EventArgs e)
{
string arg;
int i1;
Timer.Stop();
string cmd = CommandToExecute;
if (String.IsNullOrEmpty(cmd))
{
return;
}
else if (MoleculeGridControl.IsShowContextMenuCommand(cmd, "ShowContextMenu:TargetContextMenu", out arg))
{
SelectedTarget = arg;
Point ptCursor = Cursor.Position;
ptCursor = PointToClient(ptCursor);
TargetContextMenu.Show(ParentControl, ptCursor); // show on panel since events lost if on WebBrowser control
}
else if ((i1 = Lex.IndexOf(cmd, "ClickFunction")) >= 0)
{
cmd = cmd.Substring(i1 + "ClickFunction".Length + 1); // get function name
ClickFunctions.Process(cmd, null);
}
else
{
CommandExec.ExecuteCommandAsynch(cmd);
}
return;
}
/// <summary>
/// Initialize the Preview Query and associated QueryManager and Grid View
/// </summary>
public void InitializeView()
{
if (SwQuery != null)
{
return;
}
SwQuery = BuildStructureSearchQuery();
DataTableMx dt = DataTableManager.BuildDataTable(SwQuery);
Qm = ToolHelper.SetupQueryManager(SwQuery, dt);
MoleculeGridPageControl mgpc = MoleculeGridPageControl;
ToolHelper.SetupGridPanelForDisplay(Qm, mgpc.MoleculeGridPanel);
MoleculeGridControl grid = mgpc.MoleculeGrid;
if (grid != null && grid.GV != null)
{
grid.GV.IndicatorWidth = 40; // narrow indicator col a bit
}
ClearDataAndGrid();
return;
}
/// <summary>
/// Render the view by configuring the control for the current view settings
/// </summary>
public override void ConfigureRenderingControl()
{
if (Qm == null)
{
return;
}
MoleculeGridControl grid = GridPanel.SelectBaseGridViewGrid(Qm);
Qm.LinkMember(grid); // link grid into qm
DataTableMx dt = Qm.DataTable; // save ref to data table
grid.DataSource = null; // clear source for header build
Qm.DataTable = dt; // restore data table in qm
grid.ShowCheckMarkCol = BaseQuery.ShowGridCheckBoxes;
grid.FormatGridHeaders(Qm.ResultsFormat); // qm.MoleculeGrid.V.Columns.Count should be set for proper cols
grid.Visible = true; // now visible
Qrc.MoleculeGridPageControl = GridPageControl; // link query results to this page
GridPanel.SetDataSource(Qm, dt);
ResultsFormatter fmtr = Qm.ResultsFormatter;
if (fmtr != null && fmtr.FormattingStarted && !fmtr.BrowseExistingResults) // if already formatting need to start grid display
{
grid.StartDisplay();
}
ConfigureCount++;
return;
}
/// <summary>
/// Complete data retrieval
/// </summary>
/// <returns></returns>
DialogResult CompleteRetrieval()
{
PrintingSystem ps = (PrintingSystem)Instance.PrintControl.PrintingSystem;
PrintableComponentLink pcl = ps.Links[0] as PrintableComponentLink;
DataTableManager dtm = Qm.DataTableManager;
if (!dtm.RowRetrievalComplete)
{ // be sure we have the complete set of rows
MoleculeGridControl mg = Qm.MoleculeGrid;
Qm.MoleculeGrid = null; // don't update the grid itself
DialogResult dr = dtm.CompleteRetrieval();
Qm.MoleculeGrid = mg;
if (dr == DialogResult.Cancel)
{
return(dr);
}
}
if (Qm.DataTable.Rows.Count != PreviewRowCount)
{
pcl.CreateDocument(); // recreate the document with full set of rows
}
return(DialogResult.OK);
}
/// <summary>
/// Free resources linked to this instance
/// </summary>
public void Dispose()
{
try
{
DisposeOfControls();
if (Query != null)
{
Query.FreeControlReferences(); // just free control references
}
if (MoleculeGrid != null)
{
MoleculeGrid.Dispose();
}
if (QueryEngine != null)
{
QueryEngine.Dispose();
}
if (DataTableManager != null)
{
DataTableManager.Dispose();
}
if (ResultsFormat != null)
{
ResultsFormat.QueryManager = null;
}
if (ResultsFormatter != null)
{
ResultsFormatter.QueryManager = null;
}
if (StatusBarManager != null)
{
StatusBarManager.QueryManager = null;
}
if (QueryExec != null)
{
QueryExec.QueryManager = null;
}
QueryResultsControl = null;
Query = null;
DataTableManager = null;
DataTable = null;
ResultsFormat = null;
ResultsFormatter = null;
StatusBarManager = null;
MoleculeGrid = null;
QueryExec = null;
QueryEngine = null;
}
catch (Exception ex)
{
DebugLog.Message(DebugLog.FormatExceptionMessage(ex));
}
}
/// <summary>
/// Build the Query, QueryManager and DataTable for the matching structure display
/// </summary>
public void BuildStructureDisplayQuery()
{
MetaTable mt = MetaTableCollection.Get("QuickSearchRelatedStructures");
if (mt == null)
{
DebugLog.Message("QuickSearchRelatedStructures MetaTable not found");
RSC.MoleculeGridPageControl.Visible = false;
return;
}
Query q = ToolHelper.InitEmbeddedDataToolQuery(mt);
QueryTable qt = q.Tables[0];
q.UserObject.Name = qt.MetaTable.Label;
StructureDisplayQuery = q;
QueryColumn qc = qt.FirstStructureQueryColumn;
if (qc != null) // setup dummy criteria
{
ParsedStructureCriteria pssc = new ParsedStructureCriteria();
pssc.SearchType = StructureSearchType.FullStructure; // just full structure search for now
pssc.Molecule = new MoleculeMx(MoleculeFormat.Smiles, "C"); // placeholder structure
pssc.ConvertToQueryColumnCriteria(qc);
qc.DisplayFormatString = "Highlight=true;Align=true";
}
string title = "Related Structures";
qt.Label = title;
DataTableMx dt = q.ResultsDataTable as DataTableMx;
Qm = ToolHelper.SetupQueryManager(q, dt);
MoleculeGridPageControl mgpc = RSC.MoleculeGridPageControl;
MoleculeGridPanel gp = mgpc.MoleculeGridPanel;
mgpc.Width = RSC.Width - 3; // be sure we have page control correctly sized
mgpc.Height = RSC.Height - mgpc.Top - 3;
ToolHelper.SetupGridPanelForDisplay(Qm, mgpc.MoleculeGridPanel, true, true);
MoleculeGridControl grid = mgpc.MoleculeGrid;
if (grid != null && grid.GV != null)
{
grid.GV.IndicatorWidth = 40; // narrow indicator a bit
}
//ToolHelper.DisplayData // build and display empty grid for query with columns scaled to fit the grid
// (q, dt, RSC.MoleculeGridPageControl.MoleculeGridPanel, true, true);
return;
}
/// <summary>
/// Static method to show the grid
/// </summary>
/// <param name="grid"></param>
public static void Show(MoleculeGridControl grid)
{
if (Instance == null)
{
Instance = new EditFind();
}
Instance.Grid = grid;
if (Instance.Visible)
{
return;
}
Instance.FindText.Text = "";
Instance.Progress.Text = "";
Instance.Show(SessionManager.ActiveForm);
}
/// <summary>
/// Setup the proper grid, banded or layout, based on the ResultsFormat setting
/// </summary>
internal MoleculeGridControl SelectBaseGridViewGrid(QueryManager qm)
{
MoleculeGridControl grid;
//MoleculeGridPanel mgp = new MoleculeGridPanel(); // start with clean grids (not working for some reason)
//mgp.Controls.Remove(mgp.LayoutViewGrid);
//mgp.Controls.Remove(mgp.BandedViewGrid);
//LayoutViewGrid = mgp.LayoutViewGrid;
//BandedViewGrid = mgp.BandedViewGrid;
if (qm == null || qm.ResultsFormat == null ||
qm.ResultsFormat.UseBandedGridView) // select grid with desired view
{
grid = BandedViewGrid;
}
else
{
grid = LayoutViewGrid; // show layout form
}
Controls.Clear();
if (grid == null)
{
return(null);
}
Controls.Add(grid); // add the grid to the grid panel
grid.Dock = DockStyle.Fill;
grid.QueryManager = qm;
Grid = grid;
if (qm != null)
{
qm.MoleculeGrid = grid; // link this grid into query manager
}
else
{
qm = qm; // debug;
}
return(grid);
}
/// <summary>
/// Retrieval complete. Update cache and request display of values
/// </summary>
/// <param name="r"></param>
void DepictionRetrievalComplete(IAsyncResult r)
{
try
{
QeGetAdditionalDataDelegate d = (r as AsyncResult).AsyncDelegate as QeGetAdditionalDataDelegate;
DepictionRetrievalArgs a = r.AsyncState as DepictionRetrievalArgs;
int i = SmallWorldData.GetSvgOptionsIndex(a.color, a.align);
Status[i] = -Status[i]; // set to negative to indicate complete
string depictionsListString = d.EndInvoke(r) as string;
SvgDict[i] = Deserialize(depictionsListString);
int count = SvgDict[i].Count;
if (Debug)
{
DebugLog.Message("DepictionRetrievalComplete " + a.reqId + ", Current: " + (a.reqId == CurrentRequestId) +
", Count: " + count + ", Time: " + LogFile.FormatElapsedTimeInMs(a.startTime));
}
if (a.reqId == CurrentRequestId) // if latest request then display
{
QueryManager qm = a.qm;
MoleculeGridControl grid = qm.MoleculeGrid;
if (grid.InvokeRequired) // use invoke if not on UI thread
{
grid.Invoke(new MethodInvoker(grid.RefreshDataSourceMx));
}
else
{
grid.RefreshDataSourceMx();
}
}
}
catch (Exception ex)
{
DebugLog.Message("DepictionRetrievalComplete exception: " + DebugLog.FormatExceptionMessage(ex));
}
}
/// <summary>
/// Dispose
/// </summary>
public new void Dispose()
{
ResultsPage = null;
PageControl = null;
View = null;
Grid = null;
if (LayoutViewGrid != null)
{
LayoutViewGrid.Dispose();
}
if (BandedViewGrid != null)
{
BandedViewGrid.Dispose();
}
base.Dispose();
return;
}
public bool ProcessInternal(
WebBrowserNavigatingEventArgs e,
Control parentControl)
{
string url, arg;
url = e.Url.ToString();
ParentControl = parentControl; // panel to attach menu to
if (!Lex.Contains(url, "mobius/command"))
{
return(false);
}
int i1 = url.IndexOf("?");
if (i1 < 0)
{
return(false);
}
string cmd = url.Substring(i1 + 1);
cmd = cmd.Replace("%20", " "); // todo: more complete translation
Lex lex = new Lex();
lex.OpenString(cmd);
if (MoleculeGridControl.IsShowContextMenuCommand(cmd, "ShowContextMenu:MetaTableLabelContextMenu", out arg))
{
SetupTableHeaderPopup(cmd, menuShowDescription, out ShowDescriptionArg,
menuAddToQuery, out AddToQueryArg);
Point ptCursor = Cursor.Position;
ptCursor = parentControl.PointToClient(ptCursor);
MetaTableLabelContextMenu.Show(parentControl, ptCursor); // show on panel since events lost if on WebBrowser control
while (MetaTableLabelContextMenu != null && MetaTableLabelContextMenu.Visible) // keep this visible as long as popup is visible
{
System.Threading.Thread.Sleep(250);
Application.DoEvents();
}
}
else if (MoleculeGridControl.IsShowContextMenuCommand(cmd, "ShowContextMenu:CompoundIdContextMenu", out arg))
{
SelectedCid = arg;
Point ptCursor = Cursor.Position;
ptCursor = parentControl.PointToClient(ptCursor);
CidContextMenu.Show(parentControl, ptCursor); // show on panel since events lost if on WebBrowser control
while (CidContextMenu != null && CidContextMenu.Visible) // keep this visible as long as popup is visible
{
System.Threading.Thread.Sleep(250);
Application.DoEvents();
}
}
else // queue the command to execute after exiting this event
{
CommandToExecute = cmd;
Timer_Tick(null, null); // just call directly for now, may need to fixup later to do after exiting the event
//Timer.Start();
}
e.Cancel = true; // we've taken care of it
return(true);
}
/// <summary>
/// Display the tool data
/// </summary>
/// <param name="qm"></param>
/// <param name="serializeContentInQuery"></param>
public static void DisplayDataOld( // Old version from 1/4/2017
QueryManager qm,
MoleculeGridPanel gridPanel,
bool serializeContentInQuery,
bool fitDataToGridWidth = false)
{
MoleculeGridControl grid = null;
bool displayAsNormalQueryResults = (gridPanel == null); // if grid panel not defined assume display is in normal results panel
bool displayAsPopupGrid = (gridPanel != null && gridPanel.Parent is PopupGrid); // display in popup grid
Query q = qm.Query;
q.SetupQueryPagesAndViews(); // be sure we have a default view page
if (serializeContentInQuery)
{ // no database behind this table so persist within the query
MetaTable mt = q.Tables[0].MetaTable; // assume just one metatable
foreach (MetaColumn mc in mt.MetaColumns) // no criteria allowed
{
mc.IsSearchable = false;
}
q.SerializeMetaTablesWithQuery = true; // if no broker then save the metatable definition
q.SerializeResultsWithQuery = true; // also save results when saving the query
q.BrowseSavedResultsUponOpen = true; // open the results when the query is opened
q.ResultsDataTable = qm.DataTable; // point the query to this results table
}
ResultsFormatFactory rff = new ResultsFormatFactory(qm, OutputDest.WinForms);
rff.Build(); // build format
ResultsFormatter fmtr = new ResultsFormatter(qm); // and formatter
if (displayAsNormalQueryResults)
{
gridPanel = SessionManager.Instance.QueryResultsControl.MoleculeGridPageControl.MoleculeGridPanel;
QbUtil.AddQuery(qm.Query); // add to the list of visible queries
QueriesControl.Instance.CurrentBrowseQuery = qm.Query; // make it current
}
grid = gridPanel.SelectBaseGridViewGrid(qm);
//if (qm.ResultsFormat.UseBandedGridView)
// grid = gridPanel.BandedViewGrid;
//else grid = gridPanel.LayoutViewGrid;
qm.MoleculeGrid = grid;
grid.QueryManager = qm;
DataTableMx dt = qm.DataTable; // save ref to data table
grid.DataSource = null; // clear source for header build
if (fitDataToGridWidth && grid.BGV != null)
{
grid.BGV.OptionsView.ColumnAutoWidth = true; // set view for auto width to fit within view
}
grid.FormatGridHeaders(qm.ResultsFormat);
qm.DataTable = dt; // restore data table
qm.DataTableManager.SetResultsKeysFromDatatable(); // set the results keys
if (displayAsNormalQueryResults)
{
QbUtil.SetMode(QueryMode.Browse); // put into browse mode
}
else if (displayAsPopupGrid)
{
PopupGrid pug = gridPanel.Parent as PopupGrid;
pug.Initialize(qm); // be sure popup is initialized
pug.Show();
}
gridPanel.Visible = true;
grid.Visible = true;
grid.DataSource = qm.DataTable; // set the datasource for the grid to the datatable
RefreshDataDisplay(qm);
return;
}
/// <summary>
/// Update the match counts panel and structure view based on a set of structures and filter values
/// </summary>
/// <param name="excludeCurrentHitList"></param>
/// <param name="rssrs"></param>
public void DisplayRelatedStructures(
List <StructSearchMatch> fml)
{
MoleculeMx cs;
if (fml == null || fml.Count == 0)
{
DisplayEmptyStructureGrid();
return;
}
if (StructureDisplayQuery == null)
{
BuildStructureDisplayQuery(); // initial setup
}
Query q = StructureDisplayQuery;
QueryTable qt = q.Tables[0];
DataTableMx dt = Qm.DataTable;
MoleculeGridControl grid = Qm.MoleculeGrid;
grid.BeginUpdate();
dt.Clear(); // filter table
HashSet <string> cidSet = new HashSet <string>();
for (int mi = 0; mi < fml.Count; mi++) // build and add the rows to the datatable of structures
{
StructSearchMatch ssm = fml[mi];
DataRowMx dr = dt.NewRow();
dr[qt.Alias + ".CompoundId"] = ssm.SrcCid;
cs = new MoleculeMx(ssm.MolStringFormat, ssm.MolString);
if (Lex.IsDefined(ssm.SrcCid))
{
cs.SetMolComments("CorpId=" + ssm.SrcCid); // Attach CorpId to Molfile so it will be rendered correctly
}
if (ssm.SearchType == StructureSearchType.SmallWorld && Lex.IsDefined(ssm.GraphicsString))
{
cs.SvgString = ssm.GraphicsString;
}
dr[qt.Alias + ".Structure"] = cs;
dr[qt.Alias + ".MatchType"] = ssm.SearchTypeName;
dr[qt.Alias + ".MatchScore"] = ssm.MatchScore;
dr[qt.Alias + ".Database"] = ssm.SrcName;
dt.Rows.Add(dr);
cidSet.Add(ssm.SrcCid);
}
Qm.DataTableManager.InitializeRowAttributes();
string title = "Related Structures - Matches: " + fml.Count + ", Compound Ids: " + cidSet.Count;
Qm.MoleculeGrid.SetTableHeaderCaption(0, title);
if (!RSC.MoleculeGridPageControl.Visible)
{
RSC.MoleculeGridPageControl.Visible = true;
}
grid.EndUpdate();
ToolHelper.RefreshDataDisplay(Qm);
return;
}
/// <summary>
/// Link in QueryManager member
/// </summary>
/// <param name="m"></param>
public void LinkMember(MoleculeGridControl m)
{
MoleculeGrid = m;
m.QueryManager = this;
}
/// <summary>
/// Setup & show the dialog
/// </summary>
/// <param name="queryManager"></param>
/// <param name="control"></param>
/// <returns></returns>
public new static DialogResult Show(
QueryManager queryManager,
IPrintable control)
{
// When the GridView is active we can mostly the standard DevExpress printing stuff.
// We just remove the Checkmark boxes and make sure all data is read in before starting the print.
// However, when LayoutView is active (Cids & structures only) we must work around a couple of issues.
// 1. Use CardView instead of LayoutView because LayoutView cards get split between pages.
// 2. Scaling does not put the proper number of cards per row. Fix by scaling the cards rather
// than the print Document.
//
// Print scaling is persisted in Query.PrintScale
if (Instance == null)
{
Instance = new PrintPreviewDialog();
}
Instance.Qm = queryManager;
Query query = queryManager.Query;
Instance.Control = control;
if (control is MoleculeGridControl)
{
int printScalePct = query.PrintScale; // scale the document
double scale = printScalePct / 100.0;
queryManager.ResultsFormat.PageScale = printScalePct; // do view scaling based on printScale
MoleculeGridControl grid = control as MoleculeGridControl;
ResultsFormat rf = queryManager.ResultsFormat;
queryManager.DataTableManager.ResetFormattedBitmaps(); // for structures to be redrawn in correct size
if (rf.UseBandedGridView) // hide check mark band for printing
{
BandedGridView bgv = grid.MainView as BandedGridView;
if (Lex.Eq(bgv.Bands[0].Name, "CheckMark")) // hide checkmark band
{
bgv.Bands[0].Visible = false;
}
if (printScalePct > 0)
{
grid.ScaleBandedGridView(scale); // scale the BandedGridView
}
}
else // switch to special card view for printing
{
CardView cv = grid.GetCardView();
grid.MainView = cv;
string keyLabel = queryManager.Query.Tables[0].MetaTable.KeyMetaColumn.Label;
cv.CardCaptionFormat = keyLabel + ": {2}"; // set proper caption
if (printScalePct > 0)
{
grid.ScaleCardView(scale); // scale the CardView
}
}
DialogResult dr = ShowDialog(grid);
// Reset the grid view
queryManager.DataTableManager.ResetFormattedBitmaps(); // clear struct bitmaps so they get redrawn in correct size
queryManager.ResultsFormat.PageScale = query.ViewScale; // switch back to doing view scaling based on viewScale
if (rf.UseBandedGridView) // unhide check mark band
{
BandedGridView bgv = grid.MainView as BandedGridView;
bgv.Bands[0].Visible = true;
grid.ScaleBandedGridView(query.ViewScale / 100.0); // scale back for viewing
}
else // switch back to layout view
{
grid.MainView = grid.GetLayoutView();
}
grid.Refresh();
return(dr);
}
else if (control is PivotGridControlMx)
{
PivotGridControlMx grid = control as PivotGridControlMx;
DialogResult dr = ShowDialog(grid);
return(dr);
}
//else if (control is ChartControlMx)
//{
// ChartControlMx chart = control as ChartControlMx;
// DialogResult dr = ShowDialog(chart);
// return dr;
//}
else
{
throw new Exception("Invalid control type: " + control.GetType());
}
}