private void Timer1_Tick(object sender, EventArgs e)
{
if (ServiceFacade.ServiceFacade.InServiceCall)
{
return; // avoid multiplexing service calls that could cause problems
}
if (InTimer_Tick)
{
return;
}
InTimer_Tick = true;
string currentCid = CidCtl.Text;
if (currentCid == PreviousCid)
{
InTimer_Tick = false;
return;
}
PreviousCid = currentCid;
string cid = CompoundId.Normalize(currentCid);
MetaTable mt = CompoundId.GetRootMetaTableFromCid(cid);
MoleculeMx mol = MoleculeUtil.SelectMoleculeForCid(cid, mt);
QueryMolCtl.SetupAndRenderMolecule(mol);
InTimer_Tick = false;
return;
}
private void AddToFavoritesButton_Click(object sender, EventArgs e)
{
Point p = RetrieveModel.PointToScreen(new System.Drawing.Point(0, AddToFavoritesButton.Height));
MoleculeSelectorControl.AddToFavoritesList(QueryMolCtl, GetSearchType());
QueryMolCtl.Focus(); // move focus away
}
private void EditNewBiopolymerMenuItem_Click(object sender, EventArgs e)
{
QueryMolCtl.SetupAndEditNewMoleculeAsynch(MoleculeFormat.Helm);
}
private void EditNewChemicalStructureMenuItem_Click(object sender, EventArgs e)
{
QueryMolCtl.SetupAndEditNewMoleculeAsynch(MoleculeFormat.Molfile);
}
private void RetrieveFavoritesButton_Click(object sender, EventArgs e)
{
MoleculeSelectorControl.SelectFavoriteMolecule(QueryMolCtl);
QueryMolCtl.Focus(); // move focus away
}
private void NewBiopolymerMenuItem_Click(object sender, EventArgs e)
{
QueryMolCtl.Molecule = new MoleculeMx(MoleculeFormat.Helm);
QueryMolCtl.RenderMolecule();
DelayedCallback.Schedule(QueryMolCtl.EditMolecule); // invoke editor after returning from this event
}
/// <summary>
/// Setup Form
/// </summary>
/// <param name="qc"></param>
void SetupForm(
QueryColumn qc)
{
bool enabled;
SetupDepth++;
Qc = qc; // column we will be specifying criteria for
// Setup dialog boxes with current settings
Psc = ParsedStructureCriteria.Parse(Qc);
// Enable Search option controls
enabled = ChemSearchIsSupportedForColumn;
SubStruct.Enabled = Similarity.Enabled = Full.Enabled = enabled;
if (Psc.SearchType == StructureSearchType.Unknown) // default to SS search if not defined yet
{
Psc.SearchType = StructureSearchType.Substructure;
}
// Enable SmallWorld Search option controls
enabled = SmallWorldSearchIsSupportedForColumn;
SmallWorld.Enabled = enabled;
if (enabled)
{
if (Psc.SearchType == StructureSearchType.Unknown) // default to SmallWorld search
{
Psc.SearchType = StructureSearchType.SmallWorld;
}
}
else if (Psc.SearchType == StructureSearchType.SmallWorld) // smallworld not allowed
{
Psc.SearchType = StructureSearchType.Unknown;
}
DisplayPreferences.SetStandardDisplayPreferences(QueryMolCtl.KekuleControl.Preferences);
if (Psc.SearchType == StructureSearchType.Substructure)
{
SubStruct.Checked = true;
QueryMolCtl.KekuleControl.Preferences.HydrogenDisplayMode = HydrogenDisplayMode.Off; // no hydrogen display for SSS
}
else if (Psc.SearchType == StructureSearchType.FullStructure)
{
Full.Checked = true;
}
else if (Psc.SearchType == StructureSearchType.MolSim)
{
Similarity.Checked = true;
}
else if (Psc.SearchType == StructureSearchType.SmallWorld)
{
SmallWorld.Checked = true;
}
else
{
None.Checked = true;
}
QueryMolCtl.SetupAndRenderMolecule(Psc.Molecule);
QueryMolCtl.EditValueChanged += new System.EventHandler(QueryMolCtl_EditValueChanged);
//SetMolDisplayFormatText();
SetupOptions(true);
SetupDepth--;
return;
}
/// <summary>
/// Setup the form for display
/// </summary>
/// <param name="cid"></param>
/// <param name="qm"></param>
/// <returns></returns>
bool SetupForm(
string cid,
QueryManager qm)
{
AssertMx.IsDefined(cid, "Compound Id (CorpId)");
SelectedCid = cid;
PreviousCid = cid;
RootTable = CompoundId.GetRootMetaTableFromCid(cid);
Qm = null; // no query context
SourceQuery = null;
CurrentBaseQueryCidHitList = null;
if (qm != null) // if querymanager defined then base the related data query on the "current" query
{
Qm = qm; // setup query context
SourceQuery = qm.Query;
RootTable = qm.Query.RootMetaTable;
if (qm.Query != null && qm.Query.Mode == QueryMode.Browse) // if browsing current base query results then get that cid list
{
CurrentBaseQueryCidHitList = Qm.DataTableManager.GetMostCompleteResultsKeyList();
}
}
//else throw new Exception("Parameters not defined");
//if (Lex.IsUndefined(SelectedCid) &&
// (Qm == null || Qm.MoleculeGrid == null || Qm.MoleculeGrid.Helpers == null))
// return false;
SetupCheckmarks();
// Current Cid
//if (Qm != null)
// SelectedCid = Qm.MoleculeGrid.Helpers.GetCidForSelectedCell();
SelectedCid = CompoundId.Format(SelectedCid);
CidCtl.Text = SelectedCid;
//CidCtl.Focus();
// Marked cid count
MarkedCidsList = null;
if (Qm?.MoleculeGrid != null)
{
CidList cl = Qm.MoleculeGrid.GetMarkedList();
if (cl != null)
{
MarkedCidsList = cl.ToStringList();
}
}
int selCnt = (MarkedCidsList != null ? MarkedCidsList.Count : 0);
MarkedCidsCheckEdit.Text = "Selected compound Ids (" + FormatCidListForDisplay(MarkedCidsList) + ")";
MarkedCidsCheckEdit.Enabled = (selCnt > 0);
if (selCnt == 0 && MarkedCidsCheckEdit.Checked)
{
CurrentCidCheckEdit.Checked = true;
}
// All Cid count
int allCnt = (CurrentBaseQueryCidHitList != null ? CurrentBaseQueryCidHitList.Count : 0);
AllCidsCheckEdit.Text = "All Ids in the current result set (" + FormatCidListForDisplay(CurrentBaseQueryCidHitList) + ")";
AllCidsCheckEdit.Enabled = (allCnt > 0);
if (selCnt == 0 && AllCidsCheckEdit.Checked)
{
CurrentCidCheckEdit.Checked = true;
}
// Structure
MoleculeMx cs = new MoleculeMx();
if (Lex.IsDefined(SelectedCid))
{
cs = MoleculeUtil.SelectMoleculeForCid(SelectedCid);
}
QueryMolCtl.SetupAndRenderMolecule(cs);
// MRU list
RenderMruList();
return(true);
}
/// <summary>
/// Build the query
/// </summary>
private Query BuildQuery()
{
Query q, q2;
QueryTable qt;
QueryColumn keyQc;
MetaTreeNode mtn;
string title = "";
q = null;
foreach (ImageListBoxItem item in MruListCtl.SelectedItems)
{
mtn = item.Tag as MetaTreeNode;
if (mtn == null || // use base query
(mtn.Type == MetaTreeNodeType.Query && Lex.Eq(mtn.Target, "RelatedCompoundsSourceQuery")))
{
if (q == null)
{
q = SourceQuery.Clone(); // base new query on query we originated from
}
else
{
q.MergeQuery(SourceQuery);
}
}
else if (mtn.Type == MetaTreeNodeType.Query) // selected query item
{
UserObjectType objType;
int objId = -1;
UserObject.ParseObjectTypeAndIdFromInternalName(mtn.Target, out objType, out objId);
q2 = QbUtil.QueriesControl.GetQueryByUserObjectId(objId); // if this query is open, get the current, possibly edited, version
if (q2 == null)
{
q2 = QbUtil.ReadQuery(mtn.Target); // read in existing query
}
if (q2 != null)
{
if (q == null)
{
q = q2.Clone();
}
else
{
q.MergeQuery(q2);
}
}
}
else if (mtn.IsDataTableType) // single data table
{
MetaTable mt = MetaTableCollection.Get(mtn.Target);
if (mt == null)
{
throw new Exception("Can't get metatable " + mtn.Target);
}
if (q == null)
{
q = new Query();
}
if (Lex.IsUndefined(q.Name))
{
q.Name = mt.Label;
}
if (q.GetQueryTableByName(mt.Name) == null) // add table if not already included
{
qt = new QueryTable(q, mt);
}
}
else
{
throw new Exception("Invalid node type: " + mtn.Type);
}
}
List <string> cidList = new List <string>();
bool cidBasedQuery = true; // assume query is based on a list of cids
string cid = CidCtl.Text;
cid = CompoundId.Normalize(cid);
// Retrieve data for a single Cid
if (CurrentCidCheckEdit.Checked)
{
cidList.Add(cid);
title = q.Name + " for " + RootTable.KeyMetaColumn.Label + " " + CidCtl.Text;
}
// Retrieve data for related structures
else if (RelatedStrsCheckEdit.Checked)
{
// AltForms, MatchedPairs, SmallWorld, SimilarSearch, Substructure
string queryStrName = QueryMolCtl.GetTemporaryStructureTag();
if (Lex.IsUndefined(queryStrName))
{
queryStrName = "query structure";
}
title = q.Name + " compounds related to " + queryStrName;
cidBasedQuery = false; // need to do a related structure search
}
// Retrieve for marked Cids
else if (MarkedCidsCheckEdit.Checked)
{
cidList = MarkedCidsList;
title = q.Name + " for checked " + RootTable.KeyMetaColumn.Label + "s";
}
// Retrieve for all Cids in originating query
else if (AllCidsCheckEdit.Checked)
{
cidList = CurrentBaseQueryCidHitList;
title = q.Name + " for current hitlist " + RootTable.KeyMetaColumn.Label + "s " + CidCtl.Text;
}
q.Name = title; // name query same as title ( + " (Q" + (++QueryCount) + ")"; // with query sequence id appended)
// Remove existing criteria if requested
if (!ApplyExistingCriteria.Checked)
{
q.ClearAllQueryColumnCriteria();
}
// Modify the derived query to do either a Cid or Related-structure search
q.IncludeRootTableAsNeeded();
if (IncludeStructures.Checked)
{
AddStructureTableToQuery(q);
}
if (cidBasedQuery)
{
ModifyQueryForCidSearch(q, cidList);
}
else
{
ModifyQueryForRelatedStructureSearch(q, QueryMolCtl);
}
q.SingleStepExecution = false; // Single step fails for RelatedSS search (Done in QE now)
return(q);
}
