GraphSim TK 2.3.1¶
New features¶
The following API has been added to provide access to underlying data generated for OEFPType.Path, OEFPType.Tree, and OEFPType.Circular fingerprint types:
The performance of the OEGetFPCoverage function has been improved.
The following functions have been added to help generate consistent command line interfaces for 2D molecule similarity examples and utilities:
- OEConfigureFingerPrint and the corresponding OESetupFingerPrint
- OEConfigureFPDatabaseOptions and the corresponding OESetupFPDatabaseOptions
Generated interfaces include correspondence between each command line option and its related entry point in OEGraphSim TK.
Documentation changes¶
- A new Fingerprint Patterns chapter has been added.