Skip to content

v1.1
Compare
Choose a tag to compare
@dan2097 dan2097 released this 23 Jan 15:27
· 288 commits to master since this release
jna-inchi-1.1
fc61e41
  • 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
Assets 3
Loading