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dan2097 / jna-inchi

Wrapper to access InChI from Java
GNU Lesser General Public License v2.1
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development branch for the v1.07-beta.3 ? #21

Open egonw opened 4 months ago

egonw commented 4 months ago

There is a beta out for v1.0.7 and I was wondering if you had plans for a jna-inchi development branch for the upcoming release?

dan2097 commented 4 months ago

I just became aware of this from the mailing list. I'll try and find the time to test this on a branch within the next week.

dan2097 commented 4 months ago

@egonw I've only tested on Windows thus far, but all bar one unit tests pass. The failing unit tests involves reading an InChI using IXA_MOL_ReadInChI and gives an "Invalid memory access" Error from this method call. From the source code I don't think the molecule reading logic has actually changed, but the relevant source file now includes https://github.com/IUPAC-InChI/InChI/blob/main/INCHI-1-SRC/INCHI_BASE/src/bcf_s.h which if I understand correctly potentially will enable bounds checking and hence flag up functions that are writing out of bounds.

I'll see whether I can figure out the cause and then flag it up with the InChI devs.