/// <summary>
/// Copy ExportParms members to ResultsFormat
/// </summary>
/// <param name="ep"></param>
public void CopyFromExportParms(ExportParms ep)
{
QueryId = ep.QueryId;
OutputDestination = ep.OutputDestination;
RunInBackground = ep.RunInBackground;
ExportFileFormat = ep.ExportFileFormat;
OutputFileName = ep.OutputFileName;
OutputFileName2 = ep.OutputFileName2;
DuplicateKeyTableValues = ep.DuplicateKeyValues;
if (ep.QualifiedNumberSplit != QnfEnum.Undefined)
{
QualifiedNumberSplit = ep.QualifiedNumberSplit;
}
ExportStructureFormat = ep.ExportStructureFormat;
StructureFlags = ep.StructureFlags;
FixedHeightStructures = ep.FixedHeightStructures;
ColumnNameFormat = ep.ColumnNameFormat;
IncludeDataTypes = ep.IncludeDataTypes;
OpenMode = ep.OpenMode;
ViewStructures = ep.ViewStructures;
return;
}
/// <summary>
/// Get molecule string in correct format
/// </summary>
/// <param name="vo"></param>
/// <param name="structureExportFormat"></param>
/// <returns></returns>
string GetMoleculeString(
object vo,
ExportStructureFormat structureExportFormat)
{
string molString = "";
MoleculeMx cs = (MoleculeMx)vo;
if (structureExportFormat == ExportStructureFormat.Chime)
{
molString = cs.GetChimeString(); // save structure as Chime
}
else if (structureExportFormat == ExportStructureFormat.Smiles)
{
molString = cs.GetSmilesString(); // save structure as Smiles
}
else if (structureExportFormat == ExportStructureFormat.Molfile)
{
molString = cs.GetMolfileString(); // save structure as molfile
}
else // save structure as molfile as default
{
molString = cs.GetMolfileString();
}
return(molString);
}
