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Releases: dan2097/jna-inchi

v1.2.1

03 Mar 21:39
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  • Compatibility with JNA 5.13.0 and later (#22)

v1.2

10 Dec 23:07
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  • 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

23 Jan 15:27
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  • 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

v1.0.1

15 Dec 22:33
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Removed duplicated files from jna-inchi-api module

v1.0

13 Dec 01:02
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Initial release with support for InChI 1.06 on Linux (x86/x86-64/ARM), Mac (ARM64/x86-64) and Windows (x86/x86-64)