Saiph Toolkit
Attention
This API is currently available in C++ and Python.
Saiph TK provides the functionalities to easily extract, transfer, and load (ETL) files. It
has six file-converting classes: OEMolFileConverter,
OESmilesFileConverter,
OECSVFileConverter,
OEDUFileConverter,
OEShapeQueryConverter,
and OERecordToCSV.
OEMolFileConverter can be utilized on any
file that passes the OEIsReadable check.
OESmilesFileConverter can be utilized on
SMI, ISM, CAN, CXSMILES, and USM files. The other converters are specific to their
file type.
OEMolFileConverter and
OESmilesFileConverter both
take in OEMolConversionOptions,
which provides options to clear SDData, set conformer tests, and set and get generic
data, as well as allowing the user to set a Mol Title Column.
OECSVFileConverter takes in
OECSVConversionOptions for setting the delimiter.
The main five converters utilize Open() and GetNextRecord() methods to traverse through a file.
Open() is where the file name and converter options can be set. GetNextRecord() populates an
OEMolRecord while stepping through the data of the file.
This function returns Saiph return codes: SaiphReturnCode::Success, SaiphReturnCode::Fail, and
SaiphReturnCode::EndOfFile.
OERecordToCSV directly converts a file into a CSV file. It has OERecordToCSVOptions for setting the delimiter.
Saiph TK also provides functions like GetConverter, OEMolToRecord,
OERecordToMol, and OERecordToDesignUnit. GetConverter
returns the best converter for the file, and the other functions convert between OERecord
and the respective class type.