/// <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); }