Saiph TK 1.0.0
This is the first release of Saiph TK in C++ and Python.
New Features
OEMolFileConverter, OESmilesFileConverter, OECSVFileConverter, OEDUFileConverter, OEShapeQueryConverter, OERecordToCSV, and ArchiveConverter were added to enhance efficient ETL with the OpenEye toolkits.
OEMolConversionOptions and OECSVConversionOptions are classes added to utilize OEMolFileConverter, OESmilesFileConverter, and OECSVFileConverter to help manage the ETL process.
The function
GetConverterreturns the converter best suited for a file type.The function
OEMolToRecordconverts an OEMolBase to an OERecord.The function
OERecordToMolconverts an OERecord to an OEMolBase.The function
OERecordToDesignUnitconverts an OERecord to an OEDesignUnit.The function
read_record_file_to_dataframeconverts any file that passes theOEIsReadablecheck into a pandas DataFrame (User must have pandas installed).