Releases: dan2097/jna-inchi
Releases · dan2097/jna-inchi
v1.2.1
v1.2
- Added support for RInChI by wrapping the native RInChI library. The addition of RInChI capabilities was implemented by Ideaconsult Ltd and sponsored by Pending AI.
- Added ARM64 Linux binary (thanks to Igor Tetko)
- getInchiInputFromInchi and getInchiInputFromAuxInfo now correctly return isotopic masses, rather than InChI's internal representation of these
v1.1
- Methods on JnaInchi will now throw a RuntimeException rather than an Error if loading the InChI library fails e.g. unsupported platform
- Added methods to retrieve the version number of this library and the bundled InChI library
- Added support for SAbs and OutErrInChI flags
- molToInchi now uses the classic InChI API rather than IXA. This allows S-groups to be ignored when no polymer options are specified (#18)
- Ambiguous combinations of InchiFlags are now rejected e.g. ChiralFlagON and ChiralFlagOFF