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@timvdm timvdm commented Jan 9, 2020

See #2111 for details.

timvdm added 2 commits January 7, 2020 19:56
- data/UFF.prm: Add line for atom type 'D'.
- src/forcefields/forcefielduff.cpp: Add checks to prevent segfaults.
- test/regressiontest.cpp: Add test case.
…ing "-d"

- src/formats/inchiformat.cpp: Improve handling of implicit stereo refs.
- src/regressiontest.cpp: Add regression tests.
@baoilleach
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Hi Tim, good to hear from you again.

Regarding the UFF typing, can you coordinate with Geoff over at #2114 as he already has sent in a PR for this.

Regarding the #2111, I think this needs some more discussion. Let's do that over there.

@baoilleach baoilleach changed the title Issue2111 Fix segfault on SMI to InChI conversion when using "-d" Jan 10, 2020
@baoilleach
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Fixes #2111.

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2 participants