public static DialogResult Show(
QueryColumn qc)
{
ParsedStructureCriteria pssc;
string tok;
if (Instance == null)
{
Instance = new CriteriaStructureFormatDialog();
}
CriteriaStructureFormatDialog cfd = Instance;
if (!ParsedStructureCriteria.TryParse(qc, out pssc) ||
(pssc.SearchType != StructureSearchType.Substructure && pssc.SearchType != StructureSearchType.SmallWorld &&
pssc.SearchType != StructureSearchType.Related))
{
XtraMessageBox.Show("Only structure columns with criteria can have formatting defined");
return(DialogResult.Cancel);
}
// Setup
new JupyterGuiConverter().ConvertFormOrUserControl(Instance);
if (pssc.SearchType == StructureSearchType.SmallWorld)
{
cfd.HilightStructures.Checked = pssc.SmallWorldParameters.Highlight;
cfd.AlignStructures.Checked = pssc.SmallWorldParameters.Align;
}
else // Other structure match hilighting (i.e. SS)
{
cfd.HilightStructures.Checked = pssc.Highlight;
cfd.AlignStructures.Checked = pssc.Align;
}
// Show form & get new values
DialogResult dr = cfd.ShowDialog(SessionManager.ActiveForm);
if (dr == DialogResult.Cancel)
{
return(dr);
}
if (pssc.SearchType == StructureSearchType.SmallWorld)
{
pssc.SmallWorldParameters.Highlight = cfd.HilightStructures.Checked;
pssc.SmallWorldParameters.Align = cfd.AlignStructures.Checked;
}
else // Other structure match hilighting (i.e. SS)
{
pssc.Highlight = cfd.HilightStructures.Checked;
pssc.Align = cfd.AlignStructures.Checked;
}
pssc.ConvertToQueryColumnCriteria(qc);
return(dr);
}
/// <summary>
/// Return true if structure column can be searched by retrieving structure and matching with method call
/// </summary>
/// <param name="strQc"></param>
/// <returns></returns>
public static bool CanExecuteInternalStructureSearch(
QueryColumn strQc)
{
ParsedStructureCriteria psc = null;
MetaColumn strMc = strQc.MetaColumn;
if (strMc.DataType != MetaColumnType.Structure)
{
return(false); // only some structure searches are non-oracle now
}
MetaTable mt = strMc.MetaTable;
bool parseOk = ParsedStructureCriteria.TryParse(strQc, out psc);
if (parseOk && psc.SearchType == StructureSearchType.MolSim && psc.SimilarityType == SimilaritySearchType.ECFP4) // ECFP4 search
{
return(true);
}
else if (parseOk && psc.SearchType == StructureSearchType.SmallWorld) // smallworld executed via service calls
{
return(true);
}
else if (parseOk && psc.SearchType == StructureSearchType.Related) // related structure search
{
return(true);
}
else if (mt.MetaBrokerType == MetaBrokerType.Annotation) // annotation table
{
return(true);
}
else if (Lex.StartsWith(mt.Name, "USERDATABASE_STRUCTURE_")) // structure database
{
return(true);
}
else if (Lex.Eq(strMc.DataTransform, "FromMolFile") || // other table with structure stored in usable format
Lex.Eq(strMc.DataTransform, "FromChime") ||
Lex.Eq(strMc.DataTransform, "FromSmiles"))
{
return(true);
}
else
{
return(false);
}
}