} // WriteIndividualSpotfireDataFilesForEachQueryTable
/// <summary>
/// Build and add the metadata for a column
/// </summary>
/// <param name="qc"></param>
/// <param name="nameSuffix"></param>
/// <param name="extraColNameSuffix"></param>
/// <param name="mdb"></param>
/// <param name="nValueMetaColumns"></param>
void AddMetadataForColumn(
QueryColumn qc,
string colName,
string extraColNameSuffix,
SpotfireDataFileMetadataBuilder mdb,
ExportParms ep,
HashSet <MetaColumn> nValueMetaColumns)
{
QueryTable qt = qc.QueryTable;
MetaTable mt = qt.MetaTable;
MetaColumn mc = qc.MetaColumn;
SpotfireDataFileValueType sdfType = GetSpotfireDataFileType(mc);
qc.SpotfireExportType = sdfType;
// Structures get added as string type columns but the ContentType property for the DataTable Columns should be set to
// chemical/x-mdl-molfile, chemical/x-mdl-chime or chemical/x-daylight-smiles
// Also for visualizations columns that display structures the renderer must be set to a structure renderer
// if the structure format is chime (molfile and smiles autodetect)
if (mc.DataType == MetaColumnType.Structure)
{
mdb.AddColumn(colName + extraColNameSuffix, sdfType);
}
// qualified number -> 1 to 3 Spotfire columns
else if (mc.DataType == MetaColumnType.QualifiedNo)
{
if (QnSubcolumns.IsSplitFormat(ep.QualifiedNumberSplit))
{
mdb.AddColumn(colName + "_PRFX_TXT" + extraColNameSuffix, SpotfireDataFileValueType.String); // qualifier
mdb.AddColumn(colName + extraColNameSuffix, SpotfireDataFileValueType.Double); // main value, use basic colname
if (mt.SummarizedExists && mt.UseSummarizedData)
{
mdb.AddColumn(colName + "_NBR_VALS_CNSDRD" + extraColNameSuffix, SpotfireDataFileValueType.Int); // number of values included if summary value
nValueMetaColumns.Add(mc);
}
}
else // combined QNs
{
mdb.AddColumn(colName + extraColNameSuffix, SpotfireDataFileValueType.String); // combined value
}
}
// Other column types use single column in Spotfire of the specified type
else
{
mdb.AddColumn(colName + extraColNameSuffix, sdfType);
}
return;
}
/// <summary>
/// Write out the values for a data row
/// </summary>
/// <param name="dr"></param>
/// <param name="qtMap"></param>
/// <param name="tw"></param>
/// <param name="ep"></param>
/// <param name="outputNValues"></param>
/// <param name="nValueMetaColumns"></param>
/// <param name="noDataForTable"></param>
/// <param name="ti"></param>
/// <param name="keyValueForRow"></param>
void WriteRowValues(
object[] dr,
QueryTableVoMap qtMap,
SpotfireDataFileTableWriter tw,
ExportParms ep,
bool outputNValues,
HashSet <MetaColumn> nValueMetaColumns,
bool noDataForTable = false,
int ti = 0,
string keyValueForRow = "")
{
QueryColumn qc;
MetaColumn mc;
SpotfireDataFileValueType sdfType;
QualifiedNumber qn;
object vo, vo2;
double dVal;
string txt;
for (int fi = 0; fi < qtMap.SelectedColumns.Count; fi++)
{
qc = qtMap.SelectedColumns[fi];
mc = qc.MetaColumn;
sdfType = (SpotfireDataFileValueType)qc.SpotfireExportType;
if (noDataForTable && ti == 0 && qc.IsKey) // if this is the root table and no data then supply the row key value
{
vo = keyValueForRow;
noDataForTable = false; // now have data
}
if (noDataForTable)
{
vo = null;
}
else
{
vo = dr[qc.VoPosition];
}
bool isNull = NullValue.IsNull(vo);
if (isNull && (mc.DataType != MetaColumnType.QualifiedNo)) // write null value (unless QN which may require multiple value writes)
{
WriteValue(tw, sdfType, null);
}
else if (mc.DataType == MetaColumnType.Structure)
{
if (vo is MoleculeMx)
{
string molString = GetMoleculeString(vo, ep.ExportStructureFormat);
WriteValue(tw, sdfType, molString);
}
else
{
vo2 = MobiusDataType.ConvertToPrimitiveValue(vo, mc);
WriteValue(tw, sdfType, vo2);
}
}
else if (mc.DataType == MetaColumnType.QualifiedNo) // write 1-3 values for Qualified number
{
// Output a split QN
if (QnSubcolumns.IsSplitFormat(ep.QualifiedNumberSplit))
{
if (vo is QualifiedNumber && !isNull) // regular QN
{
qn = (QualifiedNumber)vo;
WriteValue(tw, SpotfireDataFileValueType.String, qn.Qualifier); // qualifier
WriteValue(tw, SpotfireDataFileValueType.Double, qn.NumberValue);
if (outputNValues && nValueMetaColumns.Contains(mc))
{
if (NullValue.IsNull(qn.NValueTested))
{
WriteValue(tw, SpotfireDataFileValueType.Int, null); // number in calc
}
else
{
WriteValue(tw, SpotfireDataFileValueType.Int, qn.NValueTested);
}
}
}
else if (!isNull) // non-qn
{
WriteValue(tw, SpotfireDataFileValueType.String, null); // qualifier
if (QualifiedNumber.TryConvertToDouble(vo, out dVal))
{
WriteValue(tw, SpotfireDataFileValueType.Double, dVal);
}
else
{
WriteValue(tw, SpotfireDataFileValueType.Double, null);
}
if (outputNValues && nValueMetaColumns.Contains(mc))
{
WriteValue(tw, SpotfireDataFileValueType.Int, null); // N value
}
}
else // null value
{
WriteValue(tw, SpotfireDataFileValueType.String, null); // qualifier
WriteValue(tw, SpotfireDataFileValueType.Double, null); // value
if (outputNValues && nValueMetaColumns.Contains(mc))
{
WriteValue(tw, SpotfireDataFileValueType.Int, null); // N value
}
}
}
// Output a non-split (combined) QN
else // combined
{
if (isNull)
{
WriteValue(tw, SpotfireDataFileValueType.String, null);
}
else if (vo is QualifiedNumber && !isNull) // regular QN
{
qn = (QualifiedNumber)vo;
txt = qn.Format(qc, false, mc.Format, mc.Decimals, ep.QualifiedNumberSplit, false);
WriteValue(tw, SpotfireDataFileValueType.String, txt);
}
else if (!isNull) // non-qn
{
txt = vo.ToString();
WriteValue(tw, SpotfireDataFileValueType.String, txt);
}
else // null value
{
WriteValue(tw, SpotfireDataFileValueType.String, null);
}
}
}
else // write other types as primitive value for now
{
vo2 = MobiusDataType.ConvertToPrimitiveValue(vo, mc);
WriteValue(tw, sdfType, vo2);
}
} // col loop
return;
}