/// <summary>
/// Format structure for output to SDFile
/// </summary>
/// <param name="molid"></param>
void FormatSdfileStructure(
MoleculeMx cs)
{
string molFile, cid;
if (SS.I.RemoveLeadingZerosFromCids) // normal formatting
{
cid = CompoundId.Format(CurrentKey);
}
else
{
cid = CurrentKey; // just use internal formatting
}
cs = cs.Convert(Rf.StructureFlags | MoleculeTransformationFlags.RemoveStructureCaption, cid);
molFile = cs.GetMolfileString();
if (molFile.IndexOf("\r") < 0) // add carriage returns to molfile if it doesn't contain them
{
molFile = molFile.Replace("\n", "\r\n");
}
SdfLine = molFile;
return;
}
/// <summary>
/// Update the list of related compounds
/// </summary>
/// <param name="mt"></param>
/// <param name="cid"></param>
/// <param name="str"></param>
private void UpdateRelatedCidsDisplayOld(
MetaTable mt,
string cid,
MoleculeMx str)
{
if (SS.I.AllowGroupingBySalts) // build list of salts & send
{
List <string> salts = MoleculeUtil.GetAllSaltForms(Cid);
if (salts == null || salts.Count == 0) // nothing related
{
OtherCidsList.Visible = false; // hide list
}
else
{
OtherCidsList.Properties.Items.Clear();
foreach (string s in salts)
{
string extCid = CompoundId.Format(s);
OtherCidsList.Properties.Items.Add(extCid);
}
string listHeader = salts.Count.ToString() + " Other Match";
if (salts.Count > 1)
{
listHeader += "es"; // use proper grammar
}
OtherCidsList.Text = listHeader; // select first item
OtherCidsList.Visible = true;
}
}
else
{
OtherCidsList.Visible = false; // hide list
}
}
private void InsertSaltsForAllCompounds_ItemClick(object sender, DevExpress.XtraBars.ItemClickEventArgs e)
{
DisplayStatusMsg("Inserting Salts, wait please...");
GetNormalizedListFromControl(CidList);
List <string> al = MoleculeUtil.InsertSalts(CidList.ToStringList());
CidList newList = new CidList(al);
newList.UserObject = CidList.UserObject;
StringBuilder listBuild = new StringBuilder(newList.Count * 12 + 32); // build formatted list here
foreach (CidListElement cle in newList.List)
{ // build formatted list with added items marked
listBuild.Append(CompoundId.Format(cle.Cid, RootTable));
if (!CidList.Contains(cle.Cid))
{
listBuild.Append(" (+)");
}
listBuild.Append("\r\n");
}
CidList = newList;
CidListCtl.Text = listBuild.ToString();
DisplayStatusMsg("");
return;
}
private void InsertSaltsForCurrentCompound_ItemClick(object sender, DevExpress.XtraBars.ItemClickEventArgs e)
{
string cid = GetCurrentCid(false);
if (cid.Trim().Length == 0)
{
return;
}
List <string> al = MoleculeUtil.GetAllSaltForms(cid);
if (al == null || al.Count == 0)
{
DisplayStatusMsg("No salts for " + CompoundId.Format(cid, RootTable));
SystemUtil.Beep();
return;
}
StringBuilder listBuild = new StringBuilder();
foreach (string s in al)
{ // build formatted list with added items marked
if (s == cid)
{
continue; // don't add self
}
listBuild.Append(CompoundId.Format(s, RootTable));
listBuild.Append(" (+)");
listBuild.Append("\r\n");
}
InsertCidListText(listBuild.ToString());
return;
}
/// <summary>
/// Display the structure and other basic data for the supplied cid
/// </summary>
/// <param name="cidArg"></param>
void DisplayCidData(string cidArg)
{
MoleculeMx str = null;
string mwTxt = "", mfTxt = "", haTxt = "", tok;
string intCid = CompoundId.Normalize(cidArg, RootTable);
string extCid = CompoundId.Format(intCid, RootTable);
CidCtl.Text = extCid;
if (RootTable == null || RootTable.KeyMetaColumn.DataType == MetaColumnType.CompoundId)
{
str = MoleculeUtil.SelectMoleculeForCid(intCid, RootTable);
}
if (Lex.IsDefined(str?.PrimaryValue)) // have a structure with at least one atom
{
if (str.PrimaryDisplayFormat == MoleculeRendererType.Chemistry)
{
int ha = str.HeavyAtomCount;
if (ha > 0)
{
haTxt = ha.ToString();
}
double mw = str.MolWeight;
if (mw >= 0)
{
mwTxt = String.Format("{0:f3}", mw);
}
HeavyAtoms.Text = "";
Weight.Text = mwTxt;
string mf = str.MolFormula;
HeavyAtoms.Text = "";
Formula.Text = mf;
}
else
{
} // biopolymer, don't calc structure props (too slow for now)
HeavyAtoms.Text = haTxt;
Weight.Text = mwTxt;
Formula.Text = mfTxt;
MolCtl.Molecule = str;
return;
}
else // no structure
{
HeavyAtoms.Text = "";
Weight.Text = "";
Formula.Text = "";
MolCtl.ClearMolecule();
return;
}
}
/// <summary>
/// Format list for display
/// </summary>
/// <param name="rootTable"></param>
/// <returns></returns>
string FormatList()
{
string formattedCid;
StringBuilder listBuild = new StringBuilder(CidList.Count * 12 + 32); // allocate expected length
for (int li = 0; li < CidList.Count; li++)
{
if (listBuild.Length > 0)
{
listBuild.Append("\r\n");
}
string cid = CidList[li].Cid;
if (SS.I.RemoveLeadingZerosFromCids) // normal formatting
{
formattedCid = CompoundId.Format(cid, RootTable);
}
else
{
formattedCid = cid; // just use internal formatting
}
listBuild.Append(formattedCid);
}
return(listBuild.ToString());
}
/// <summary>
/// ShowImmediate
/// </summary>
/// <param name="singleCorpId"></param>
void ShowPopup(string singleCorpId)
{
KeyQc = QueryTable.GetDefaultRootQueryTable()?.KeyQueryColumn;
KeyQc.Criteria = KeyQc.MetaColumnName + " = " + singleCorpId;
//Tso = new TargetSummaryOptions();
//Tso.CidCriteria = "= " + singleCorpId;
string title = "Spotfire View of Data for Compound Id " + CompoundId.Format(singleCorpId);
BuildQuery(title);
QbUtil.RunPopupQuery(Query, title, OutputDest.WinForms);
return;
}
/// <summary>
/// Show related structures for supplied CID
/// </summary>
/// <param name="initialCid"></param>
/// <param name="queryType"></param>
/// <param name="excludeCurrentCompounds"></param>
public void ShowInstance(
string initialCid,
string queryType,
bool excludeCurrentCompounds)
{
try
{
InSetup = true;
MetaTable mt = CompoundId.GetRootMetaTableFromCid(initialCid); // set title
string extCid = CompoundId.Format(initialCid, mt);
string txt = extCid + " and Related Structures";
if (mt != null)
{
txt = mt.KeyMetaColumn.Label + " " + txt;
}
Text = txt;
RelatedStructuresControl.MoleculeControl.ClearMolecule();
RelatedStructuresControl.SetupCheckmarks();
CompoundIdControl.Text = initialCid; // set cid to trigger start of search and UI update on next tick
Left = PopupPos; // position
Top = PopupPos;
PopupPos += 125;
if (PopupPos > InitialPopupPos + (5 * 125))
{
PopupPos = InitialPopupPos;
}
Show(); // show (not modal)
BringToFront();
return;
}
catch (Exception ex) { ex = ex; }
finally
{
InSetup = false;
}
}
/// <summary>
/// Setup the form with existing criteria
/// </summary>
/// <param name="qc"></param>
void Setup(
QueryColumn qc)
{
MetaTable mt = null;
string listName, mcName, tok, tok1, tok2, tok3, txt;
int i1;
if (qc != null && qc.QueryTable != null)
{
mt = qc.QueryTable.MetaTable;
}
Text = qc.ActiveLabel + " Criteria";
Prompt.Text =
"Choose one of the following " + qc.ActiveLabel + " criteria options.";
Cid.Text = "";
CidListDisplay.Text = "";
ListName.Text = "";
SavedListUo = null;
CidLo.Text = "";
CidHi.Text = "";
TempListName.Properties.Items.Clear(); // build dropdown of available temp list names
foreach (TempCidList tl0 in SS.I.TempCidLists)
{
TempListName.Properties.Items.Add(tl0.Name);
}
TempListName.Text = "Current";
Lex lex = new Lex();
lex.OpenString(qc.Criteria);
mcName = lex.GetUpper(); // metacolumn name
if (Lex.Ne(mcName, qc.MetaColumnName)) // check if col name is first token
{ // if not assume it's simply missing and that the operator is the first token
lex.Backup();
mcName = qc.MetaColumnName;
}
tok = lex.GetUpper(); // operator
tok1 = lex.GetUpper(); // following tokens */
tok2 = lex.GetUpper();
tok3 = lex.GetUpper();
if (tok == "=" || tok == "")
{
tok1 = CompoundId.Format(tok1, mt);
Cid.Text = tok1;
EQ.Checked = true;
}
else if (tok == "IN" && tok1.StartsWith("(")) // list saved with query only
{
InList.Checked = true;
CidListString = qc.Criteria;
i1 = CidListString.IndexOf("("); // just get the list itself if parenthesized
if (i1 >= 0)
{
CidListString = CidListString.Substring(i1 + 1);
}
if (CidListString.EndsWith(")"))
{
CidListString = CidListString.Substring(0, CidListString.Length - 1);
}
SetCidListDisplay();
}
else if (tok == "IN" && (Lex.Eq(Lex.RemoveAllQuotes(tok2), "CURRENT") ||
Lex.StartsWith(tok2, UserObject.TempFolderNameQualified)))
{ // temp list
if (Lex.StartsWith(tok2, UserObject.TempFolderNameQualified))
{
tok2 = tok2.Substring(UserObject.TempFolderNameQualified.Length);
}
TempListName.Text = tok2;
TempList.Checked = true;
}
else if (tok == "IN") // saved list
{
SavedListUo = QueryEngine.ResolveCnListReference(tok2);
if (SavedListUo != null)
{
listName = SavedListUo.Name;
}
else
{
listName = "Nonexistant list"; // list deleted
}
ListName.Text = listName;
SavedList.Checked = true;
}
else if (tok == "BETWEEN")
{
tok1 = CompoundId.Format(tok1);
CidLo.Text = tok1;
tok3 = CompoundId.Format(tok3);
CidHi.Text = tok3;
Between.Checked = true;
}
}
private void OK_Click(object sender, EventArgs e)
{
int CnCount;
string listName, listText, errMsg = "", tok, cidLo, cidHi, cid = null, cid2 = null;
QueryColumn qc = Qc;
MetaColumn mc = qc.MetaColumn;
MetaTable mt = mc.MetaTable;
// Perform validity check on form
// Equality
if (EQ.Checked)
{
tok = Cid.Text.ToUpper();
if (tok == "")
{
XtraMessageBox.Show("Single compound value is missing", UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.None);
Cid.Focus();
return;
}
if (SS.I.ValidateCompoundIds)
{
if (tok == "")
{
errMsg = "You must supply a " + qc.ActiveLabel;
}
else if (RootTable.IsStructureDatabaseRootTable(mt.Root))
{
if (!CompoundId.IsValidForDatabase(tok, mt))
{
errMsg = tok + " is not a valid " + qc.ActiveLabel;
}
else
{
cid = CompoundId.Normalize(tok, mt);
tok = CompoundId.Format(cid, mt);
errMsg = "";
}
}
else
{
cid = tok; // use as is
errMsg = ""; // no error
}
if (errMsg != "")
{
MessageBoxMx.Show(errMsg, UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
}
qc.CriteriaDisplay = "= " + tok;
qc.Criteria = mc.Name + " = " + Lex.AddSingleQuotes(cid);
CnCount = 1;
}
// List
else if (InList.Checked)
{
listText = CidListString.Trim();
if (listText == "")
{
XtraMessageBox.Show("The list must contain one or more items", UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.None);
if (CidListDisplayIsEditable())
{
CidListDisplay.Focus();
}
return;
}
qc.CriteriaDisplay = CidList.FormatAbbreviatedCidListForDisplay(qc, listText);
qc.Criteria = mc.Name + " IN (" + listText + ")";
}
// Current list
else if (TempList.Checked)
{
qc.CriteriaDisplay = "In temporary list: " + TempListName.Text;
qc.Criteria = mc.Name + " IN LIST " + UserObject.TempFolderNameQualified + TempListName.Text;
CnCount = SessionManager.CurrentResultKeysCount;
}
// Saved list
else if (SavedList.Checked)
{
if (ListName.Text.Trim() == "")
{
XtraMessageBox.Show("A list name must be supplied", UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.None);
ListName.Focus();
return;
}
string internalName = ResolveSavedListUo();
if (internalName == null)
{
return;
}
qc.CriteriaDisplay = "In list: " + SavedListUo.Name;
qc.Criteria = mc.Name + " IN LIST " + Lex.AddSingleQuotes("CNLIST_" + SavedListUo.Id.ToString()); // quote list name
CnCount = 1; // may be larger
}
// Between
else if (Between.Checked)
{
cidLo = CidLo.Text.Trim();
cidHi = CidHi.Text.Trim();
if (cidLo == "" || cidHi == "")
{
XtraMessageBox.Show("Between value is missing", UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.None);
if (CidLo.Text.Trim() == "")
{
CidLo.Focus();
}
else if (CidHi.Text.Trim() == "")
{
CidHi.Focus();
}
return;
}
if (SS.I.ValidateCompoundIds)
{
errMsg = "";
if (cidLo == "")
{
errMsg = "You must supply a " + qc.ActiveLabel;
}
else
{
if (!CompoundId.IsValidForDatabase(cidLo, mt))
{
errMsg = cidLo + " is not a valid " + qc.ActiveLabel;
}
else
{
cid = CompoundId.Normalize(cidLo, mt);
cidLo = CompoundId.Format(cid);
}
}
if (errMsg != "")
{
MessageBoxMx.Show(errMsg, UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
}
else
{
cid = cidLo; // use as is
}
if (SS.I.ValidateCompoundIds)
{
errMsg = "";
if (cidHi == "")
{
errMsg = "You must supply a " + qc.ActiveLabel;
}
else
{
if (!CompoundId.IsValidForDatabase(cidHi, mt))
{
errMsg = cidHi + " is not a valid " + qc.ActiveLabel;
}
else
{
cid2 = CompoundId.Normalize(cidHi, mt);
cidHi = CompoundId.Format(cid2);
}
}
if (errMsg != "")
{
MessageBoxMx.Show(errMsg, UmlautMobius.String, MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
return;
}
}
else
{
cid2 = cidHi; // use as is
}
qc.CriteriaDisplay = "Between " + cidLo + " and " + cidHi;
qc.Criteria = mc.Name + " BETWEEN " + Lex.AddSingleQuotes(cid) + " AND " + Lex.AddSingleQuotes(cid2);
}
else if (None.Checked)
{
qc.CriteriaDisplay = "";
qc.Criteria = "";
CnCount = 0;
}
DialogResult = DialogResult.OK;
// this.Hide();
}
public void Setup(ColumnInfo colInfo)
{
bool check;
string s;
InSetup = true;
ColInfo = colInfo; // save ref to colInfo
QueryColumn qc = colInfo.Qc;
ParsedSingleCriteria psc = MqlUtil.ParseSingleCriteria(ColInfo.Qc.SecondaryCriteria); // parse criteria
Dictionary <string, object> listDict = new Dictionary <string, object>();
if (psc != null && psc.OpEnum != CompareOp.In)
{
psc = null; // switching from other criteria type
}
if (psc != null && Lex.Contains(qc.SecondaryCriteria, "(All)"))
{
psc = null; // rebuild if "all" items
}
if (psc != null) // list of previously selected items
{
foreach (string vs in psc.ValueList)
{
if (qc.MetaColumn.DataType == MetaColumnType.CompoundId)
{
s = CompoundId.Format(vs);
}
else if (qc.MetaColumn.DataType == MetaColumnType.Date)
{
s = DateTimeMx.Format(vs);
}
else
{
s = vs;
}
listDict[s.ToUpper()] = null;
}
}
else // setup default criteria
{
qc.SecondaryCriteria = qc.MetaColumn.Name + " in ('(All)')";
qc.SecondaryCriteriaDisplay = qc.ActiveLabel + " in list (All)";
}
ColumnStatistics stats = colInfo.Rfld.GetStats();
CheckedListBoxItemCollection items = ItemList.Items;
items.Clear();
check = (psc == null || listDict.ContainsKey("(All)".ToUpper()) || listDict.ContainsKey("All".ToUpper()));
AddItem("(All)", check);
if (stats.NullsExist || Math.Abs(1) == 1)
{ // always include blank/nonblank since there may be null rows because other tables have more rows for key
check = (psc == null || listDict.ContainsKey("(Blanks)".ToUpper()) || listDict.ContainsKey("Blanks".ToUpper()));
BlanksPos = items.Count;
AddItem("(Blanks)", check);
check = (psc == null || listDict.ContainsKey("(Non blanks)".ToUpper()) || listDict.ContainsKey("Nonblanks".ToUpper()));
NonBlanksPos = items.Count;
AddItem("(Non blanks)", check);
}
else
{
BlanksPos = NonBlanksPos = -1;
}
foreach (MobiusDataType mdt in stats.DistinctValueList)
{
s = mdt.FormattedText;
check = (psc == null || listDict.ContainsKey(s.ToUpper()));
AddItem(s, check);
if (items.Count >= 100)
{
AddItem("...", check);
break;
}
}
int itemHeight = 18; // height of single item (really 17 but add a bit extra)
int fullHeight = ItemList.Top + 6 + ItemList.Items.Count * itemHeight; // full height of control
if (fullHeight < this.Height)
{
this.Height = fullHeight;
}
InSetup = false;
return;
}
/// <summary>
/// Display any structure and related compounds for input string or
/// Matching database contents
/// </summary>
/// <param name="inputString"></param>
/// <param name="showRelatedCompounds"></param>
public void ShowQuickSearchPopup(
string inputString,
bool updateRelatedCompounds)
{
string extCid = "", tok, tok2;
MRUEdit clc = CommandLineControl; // be sure popup is properly positioned
if (clc.FindForm() == SessionManager.Instance.ShellForm) // slightly different position for Shell form that other forms
{
Left = clc.Left;
Top = clc.Bottom;
}
else
{
Point p = clc.PointToScreen(new Point(0, clc.Bottom)); // get screen coord for upper left corner of popup
Point p2 = this.Parent.PointToClient(p); // convert screen coord back to relative
Left = p2.X; // position below input control
Top = p2.Y;
}
// See if input matches structure
Molecule = null;
if (StructurePopupEnabled && !String.IsNullOrEmpty(inputString))
{
Cid = CompoundId.Normalize(inputString);
extCid = CompoundId.Format(Cid);
CidMt = CompoundId.GetRootMetaTableFromCid(Cid);
Molecule = MoleculeUtil.SelectMoleculeForCid(Cid, CidMt);
RelatedDataButton.Enabled = (CidMt != null && Lex.Eq(CidMt.Root.Name, MetaTable.PrimaryRootTable));
AllDataButtonStb.Enabled = QbUtil.IsMdbAssayDataViewAvailable(CidMt);
}
if (Molecule != null)
{
string txt = extCid;
if (CidMt != null)
{
txt = CidMt.KeyMetaColumn.Label + " " + txt;
}
if (Lex.IsUndefined(Molecule.Id))
{
Molecule.Id = txt;
}
if (SS.I.FindRelatedCpdsInQuickSearch)
{
txt += " and Related Structures";
}
StructurePanel.Text = txt;
RelatedStructuresControl.MoleculeControl.Molecule = Molecule;
if (SS.I.FindRelatedCpdsInQuickSearch)
{
Width = InitialStructurePanelWidth; // assure correct width
}
else
{
Width = InitialStructurePanelWidthWithoutRelatedStructureOptions;
RSM.ClearSearchStatus();
}
if (!StructurePanel.Visible) // if structure not showing then set height to initial height
{
Height = InitialStructurePanelHeight;
}
StructurePanel.Location = new Point(0, 0);
StructurePanel.Visible = true;
//Size = StructurePanel.Size;
ListControl.Visible = false;
Visible = true;
RenderId++;
if (updateRelatedCompounds)
{
UpdateRelatedCidsDisplay(CidMt, Cid, Molecule, RenderId);
}
return;
}
// See if input matches database contents tree
else if (ContentsPopupEnabled)
{
DoQuickSearchAndDisplayOfContentsTree(inputString);
return;
}
HideQuickSearchPopup();
return;
}
/// <summary>
/// See if a ClickFunction command & process if so
/// </summary>
/// <param name="command"></param>
/// <param name="qm"></param>
/// <param name="cInf"></param>
public static void Process(
string command,
QueryManager qm,
CellInfo cInf = null)
{
QueryTable rootQt, qt;
QueryColumn qc;
MetaTable mt;
MetaColumn mc;
Query q2;
string dbName = "", mtName = "", mcName = "";
List <string> args0, args;
string funcName, arg1, arg2, arg3, arg4, arg5;
string value = "", keyValue = "";
int ai;
try
{
// Parse click function arguments stripping all single quotes.
// Arguments may be defined in the clickfunction definition including col values
// indicated by field.Value in the metacolumn clickfunction definition.
// If no args are defined in the clickfunction definition then a field value
// argument will be added by default or the keyValue if [keyvalue] appears in the
// ClickFunction definition
CurrentClickQueryManager = qm;
args0 = Lex.ParseAllExcludingDelimiters(command, "( , )", false);
args = new List <string>();
for (ai = 0; ai < args0.Count; ai++) // strip all single quotes
{
string arg = args0[ai];
if (arg.StartsWith("'"))
{
arg = Lex.RemoveSingleQuotes(arg);
}
//if (Lex.Eq(arg, "[rowcol]") && cInf!= null)
//{ // pass grid row & col
// args.Add(cInf.GridRowHandle.ToString());
// args.Add(cInf.GridColAbsoluteIndex.ToString());
//}
//else
args.Add(arg);
}
funcName = args[0];
arg1 = (args.Count >= 2 ? args[1] : ""); // get other args
arg2 = (args.Count >= 3 ? args[2] : "");
arg3 = (args.Count >= 4 ? args[3] : "");
arg4 = (args.Count >= 5 ? args[4] : "");
arg5 = (args.Count >= 6 ? args[5] : "");
if (Lex.Eq(funcName, "DisplayAllData"))
{ // do all data display for supplied root table and key, i.e. DisplayAllData(TableName, KeyColName, KeyValue)
ParseMetaTableMetaColumn(arg1, out mt, arg2, out mc);
string extKey = arg3;
string intKey = CompoundId.Normalize(extKey, mt);
Progress.Show("Building Query...");
_query = QueryEngine.GetSelectAllDataQuery(mt.Name, intKey);
Progress.Show("Retrieving data..."); // put up progress dialog since this may take a while
QbUtil.RunPopupQuery(_query, mt.KeyMetaColumn.Name + " " + extKey);
Progress.Hide();
return;
}
else if (Lex.Eq(funcName, "DisplayAllDataUsingDbName"))
{ // display all data for supplied database synonym & key value, i.e. DisplayAllData2(DataBaseSynonym, KeyValue)
mtName = null;
dbName = arg1;
RootTable rti = RootTable.GetFromTableLabel(dbName);
if (rti != null)
{
mtName = rti.MetaTableName;
}
else // try synonyms
{
DictionaryMx dict = DictionaryMx.Get("Database_Synonyms");
if (dict != null)
{
mtName = dict.LookupDefinition(dbName);
}
}
if (String.IsNullOrEmpty(mtName))
{
MessageBoxMx.ShowError("Unrecognized database: " + dbName);
return;
}
mt = MetaTableCollection.Get(mtName);
if (mt == null)
{
MessageBoxMx.ShowError("Can't find key metatable " + mtName + " for database " + dbName);
return;
}
string extKey = arg2;
string intKey = CompoundId.Normalize(extKey, mt);
Progress.Show("Building Query...");
_query = QueryEngine.GetSelectAllDataQuery(mt.Name, intKey);
Progress.Show("Retrieving data..."); // put up progress dialog since this may take a while
QbUtil.RunPopupQuery(_query, mt.KeyMetaColumn.Name + " " + extKey);
return;
}
// Run a query displaying results to a grid or web page and substituting a parameter value
else if (Lex.Eq(funcName, "RunHtmlQuery") || Lex.Eq(funcName, "RunGridQuery"))
{ // command to display to grid or html
if (arg1.StartsWith("MetaTreeNode=", StringComparison.OrdinalIgnoreCase))
{ // query based on metatables under a tree node
string nodeName = arg1.Substring("MetaTreeNode=".Length).Trim();
_cid = arg2;
MetaTreeNode mtn = MetaTree.GetNode(nodeName);
if (mtn == null)
{
MessageBoxMx.ShowError("Can't find tree node referenced in ClickFunction: " + nodeName);
return;
}
_query = new Query();
MetaTable rootMt = null;
foreach (MetaTreeNode mtn_ in mtn.Nodes)
{
if (!mtn_.IsDataTableType)
{
continue;
}
mt = MetaTableCollection.Get(mtn_.Target);
if (mt == null)
{
continue;
}
if (rootMt == null)
{
rootMt = mt.Root;
rootQt = new QueryTable(_query, rootMt);
}
if (mt == rootMt)
{
continue;
}
qt = new QueryTable(_query, mt);
}
if (_query.Tables.Count == 0)
{
MessageBoxMx.ShowError("No valid data tables found: " + nodeName);
return;
}
_query.KeyCriteria = "= " + _cid;
_title = mtn.Label + " for " + _query.Tables[0].MetaTable.MetaColumns[0].Label + " " + CompoundId.Format(_cid);
}
else if (arg1.StartsWith("Query=", StringComparison.OrdinalIgnoreCase))
{ // query based on saved query
string qIdString = arg1.Substring("Query=".Length).Trim();
if (qIdString.StartsWith("Query_", StringComparison.OrdinalIgnoreCase))
{
qIdString = qIdString.Substring("Query_".Length).Trim();
}
int qId = int.Parse(qIdString);
_query = QbUtil.ReadQuery(qId);
_cid = arg2;
_query.KeyCriteria = "= " + _cid;
_title = _query.UserObject.Name + " for " + _query.Tables[0].MetaTable.MetaColumns[0].Label + " " + CompoundId.Format(_cid);
}
else // explicit mql string to execute
{
_mql = arg1; // mql to execute
if (Lex.IsUndefined(_mql))
{
throw new Exception("Expected MQL query not found: " + command);
}
mt = null;
mc = null;
if (Lex.IsDefined(arg2) && Lex.IsDefined(arg3))
{
mtName = arg2;
mcName = arg3;
value = arg4; // value to plug in to mql
keyValue = value;
ParseMetaTableMetaColumn(arg2, out mt, arg3, out mc);
}
else if (cInf != null)
{
mt = cInf.Mt;
mc = cInf.Mc;
value = cInf?.DataValue?.ToString();
keyValue = qm?.DataTableManager?.GetRowKey(cInf.DataRowIndex);
}
if (mt == null || mc == null)
{
throw new Exception("Invalid MetaTable or MetaColumn name(s): " + command);
}
if (!mc.IsNumeric)
{
value = Lex.AddSingleQuotes(value); // quote if not numeric
}
int i1 = _mql.ToLower().IndexOf("[value]"); // see if a value parameter
if (i1 >= 0)
{
string value2 = value;
_mql = _mql.Replace(_mql.Substring(i1, 7), value);
_title = mc.Label + " " + value;
}
i1 = _mql.ToLower().IndexOf("[keyvalue]"); // see if a key value parameter
if (i1 >= 0)
{
_mql = _mql.Replace(_mql.Substring(i1, 10), keyValue);
_title = mt.KeyMetaColumn.Label + " " + keyValue;
}
try { _query = MqlUtil.ConvertMqlToQuery(_mql); }
catch (Exception ex)
{
MessageBoxMx.ShowError("Error converting Mql to query: " + ex.Message);
return;
}
}
if (Lex.Eq(funcName, "RunHtmlQuery"))
{
QbUtil.RunPopupQuery(_query, _title, OutputDest.Html);
}
else // output to grid
{
QbUtil.RunPopupQuery(_query, _title, OutputDest.WinForms);
}
//else // create new grid query & run (will lose results for current query)
//{
// QbUtil.NewQuery(_title); // show in query builder
// QbUtil.SetCurrentQueryInstance(_query);
// QbUtil.RenderQuery();
// string nextCommand = QueryExec.RunQuery(_query, OutputDest.Grid);
//}
return;
}
// Open a URL, normally substituting parameter value
else if (Lex.Eq(funcName, "OpenUrl"))
{
string url = arg1; // url to execute
value = arg2; // value to plug in to url
int i1 = Lex.IndexOf(url, "[value]"); // fill in one of the value place holders
if (i1 >= 0)
{
string value2 = value;
url = url.Replace(url.Substring(i1, 7), value);
}
else // check to see if we are matching on key
{
i1 = Lex.IndexOf(url, "[keyvalue]");
if (i1 >= 0)
{
url = url.Replace(url.Substring(i1, 10), value);
}
}
SystemUtil.StartProcess(url);
return;
}
else if (Lex.Eq(funcName, "OpenUrlFromSmallWorldCid"))
{
SmallWorldDepictions.OpenUrlFromSmallWorldCid(arg1);
return;
}
else if (Lex.Eq(funcName, "ShowProjectDescription"))
{
string projName = arg1;
QbUtil.ShowProjectDescription(projName);
return;
}
else if (Lex.Eq(funcName, "ShowTableDescription"))
{
mtName = arg1;
QbUtil.ShowTableDescription(mtName);
return;
}
else if (Lex.Eq(funcName, "DisplayDrilldownDetail"))
{ // drill down into a result value
mtName = arg1; // table
mcName = arg2; // column
int level = Int32.Parse(arg3);
string resultId = arg4; // quoted resultId to get
q2 = QueryEngine.GetSummarizationDetailQuery(mtName, mcName, level, resultId);
if (q2 == null)
{
throw new Exception("Unable to build drill-down query for: " + mtName + "." + mcName);
}
bool success = QbUtil.RunPopupQuery(q2, "Result Detail", OutputDest.WinForms);
return;
}
//else if (Lex.Eq(funcName, "PopupSmilesStructure")) // display structure for a Smiles string (still needs some work...)
//{
// string molString = arg1.ToString();
// ChemicalStructure cs = new ChemicalStructure(StructureFormat.Smiles, molString);
// ToolHelper.DisplayStructureInPopupGrid("Title...", "Smiles", "Structure", cs);
//}
//else if (Lex.Eq(funcName, "PopupChimeStructure")) // display structure for a Chime string
//{
// string molString = arg1.ToString();
// ChemicalStructure cs = new ChemicalStructure(StructureFormat.Smiles, molString);
// ToolHelper.DisplayStructureInPopupGrid("Title...", "Smiles", "Structure", cs);
//}
else if (Lex.Eq(funcName, "DisplayWebPage"))
{ // substitute a field value into a url & display associated web page
string url = arg1;
ParseMetaTableMetaColumn(arg2, out mt, arg3, out mc);
value = arg4; // value to plug in to mql
// value = "{6E9C28EF-407E-44A0-9007-5FFB735A5C6C}"; // debug
// value = "{0AC17903-E551-445E-BFAA-860023D2884F}"; // debug
// value = "{63EE71F9-15BA-42FB-AFDC-C399103707B1}"; // debug
// value = "{80591183-B7BA-4669-8C5F-7E7F53D981CE}";
//lex.OpenString(mc.ClickFunction); // reparse url to get proper case
//funcName = lex.GetNonDelimiter();
//url = Lex.RemoveAllQuotes(lex.GetNonDelimiter());
_title = mc.Label + " " + value;
int i1 = url.ToLower().IndexOf("[value]"); // fill in one of the value place holders
if (i1 >= 0)
{
url = url.Replace(url.Substring(i1, 7), value);
}
else // check to see if we are matching on key
{
i1 = url.ToLower().IndexOf("[keyvalue]");
if (i1 >= 0)
{
url = url.Replace(url.Substring(i1, 10), value);
_title = mt.KeyMetaColumn.Label + " " + value;
}
}
UIMisc.ShowHtmlPopupFormDocument(url, _title);
return;
}
else if (Lex.Eq(funcName, "DisplayOracleBlobDocument")) // display a document contained in an Oracle blob column
{ // Syntax: DisplayOracleBlobDocument(<table-to-lookup>, <value_match_column>, <file-name-or-type-col>, <content-column>)
string table = arg1;
string matchCol = arg2;
string typeCol = arg3;
string contentCol = arg4;
string matchVal = arg5; // value to match
try
{
string typeName;
byte[] ba;
UalUtil.SelectOracleBlob(table, matchCol, typeCol, contentCol, matchVal, out typeName, out ba);
if (ba == null || ba.Length == 0)
{
return;
}
UIMisc.SaveAndOpenBinaryDocument(typeName, ba);
}
catch (Exception ex)
{
MessageBoxMx.ShowError("Error retrieving document: " + ex.Message);
return;
}
return;
}
else if (Lex.Eq(funcName, "DisplayOracleClobDocument")) // display a document contained in an Oracle clob column
{ // Syntax: DisplayOracleBlobDocument(<table-to-lookup>, <value_match_column>, <file-name-or-type-col>, <content-column>)
string table = arg1;
string matchCol = arg2;
string typeCol = arg3;
string contentCol = arg4;
string matchVal = arg5; // value to match
try
{
string typeName, clobString;
UalUtil.SelectOracleClob(table, matchCol, typeCol, contentCol, matchVal, out typeName, out clobString);
if (Lex.IsUndefined(clobString))
{
return;
}
UIMisc.SaveAndOpenBase64BinaryStringDocument(typeName, clobString); // assume clob string is a Base64Binary string
}
catch (Exception ex)
{
MessageBoxMx.ShowError("Error retrieving document: " + ex.Message);
return;
}
return;
}
else if (Plugins.IsMethodExtensionPoint(funcName))
{
List <object> objArgs = new List <object>();
for (ai = 1; ai < args.Count; ai++) // build list of object arguments
{
objArgs.Add(args[ai]);
}
Plugins.CallStringExtensionPointMethod(funcName, objArgs);
}
else if (Lex.Eq(funcName, "None")) // dummy click function
{
return;
}
else
{
MessageBoxMx.ShowError("Unrecogized click function: " + funcName);
return;
}
}
catch (Exception ex)
{
Exception ex2 = ex;
if (ex.InnerException != null)
{
ex2 = ex.InnerException;
}
string msg = "Error executing ClickFunction: " + command + "\r\n" +
DebugLog.FormatExceptionMessage(ex);
MessageBoxMx.ShowError(msg);
ServicesLog.Message(msg);
}
}
/// <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);
}