// public static string CTabToCharExpression = // expression to convert a ctab into a Oracle char type. Returns 'Large Structure' if too big & handle at retrieve time
// "case when length(chime(ctab)) <= 4000 then to_char(chime(ctab)) else 'Large Structure' end";
// public static string LargeStructureString = "Large Structure"; // string that indicates that chime for structure is > 4000 chars
// Examples: 3203030, 3020939, 3020943, 3046095, 2240877, 2312187, 2836746
/// <summary>
/// Convert an objectinto a ChemicalStructure object
/// </summary>
/// <param name="fieldValue"></param>
/// <returns></returns>
public static MoleculeMx ConvertObjectToChemicalStructure(
object fieldValue)
{
MoleculeMx cs;
MoleculeFormat structureFormat;
string txt;
if (fieldValue == null)
{
cs = null;
}
else if (fieldValue is MoleculeMx)
{
cs = (MoleculeMx)fieldValue;
}
else if (fieldValue is string || fieldValue is CompoundId || fieldValue is QualifiedNumber)
{
if (fieldValue is string)
{
txt = (string)fieldValue;
}
else if (fieldValue is CompoundId)
{
txt = ((CompoundId)fieldValue).Value;
}
else
{
txt = ((QualifiedNumber)fieldValue).TextValue;
}
structureFormat = MoleculeMx.GetMoleculeFormatType(txt);
if (structureFormat != MoleculeFormat.Unknown) // just convert is known format
{
cs = MoleculeMx.MolStringToMoleculeMx(txt);
}
else // see if unqualified compound id
{
cs = MoleculeUtil.SelectMoleculeForCid(txt);
}
}
else
{
throw new Exception("Object is not a recognized structure format");
}
return(cs);
}