- May 02, 2023
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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- Mar 29, 2023
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Xavier Robin authored
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Xavier Robin authored
Behavior was made more consistent. Methods are now available on all the (Atom|Residue|Chain)(Handle|View)s, including in Python, and documented. A hash code is an `unsigned long`, and requesting it on an invalid handle raises an `InvalidHande` exception. In practice, the following was implemented: - Exported to Python for ChainHandles - Added method on ResidueViews and ChainViews (including Python export) - Raise InvalidHandle error on ResidueHandle (was: return 0) - Explicitly check validity of ChainHandle (although behavior was to throw an error even without explicit check) - Changed return value from `long` to `unsigned long` on Atom(View|Handle)s.
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Xavier Robin authored
GetPrev() or GetNext() may return invalid residue handles. It is unclear what happens next, find() may simply (hopefully) find nothing, however this feels unsafe. This fix guards against this possibility by checking for handles validity before giving them to find().
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- Feb 21, 2023
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Studer Gabriel authored
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- Feb 01, 2023
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Xavier Robin authored
Fixes the SDF reader and documents the convention.
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- Jan 26, 2023
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Xavier Robin authored
Also export the attributes where needed.
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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- Jan 24, 2023
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Xavier Robin authored
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- Jan 18, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Jan 17, 2023
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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- Jan 13, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Dec 23, 2022
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Xavier Robin authored
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- Oct 04, 2022
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Xavier Robin authored
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Xavier Robin authored
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- Sep 13, 2022
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Xavier Robin authored
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- Aug 26, 2022
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Studer Gabriel authored
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- Aug 22, 2022
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Studer Gabriel authored
Many of them remain, as they're triggered by Boost code too. Specifically when importing boost python. Relevant Github discussion: https://github.com/boostorg/python/issues/359
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- May 10, 2022
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Studer Gabriel authored
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Studer Gabriel authored
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- Apr 27, 2022
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Studer Gabriel authored
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- May 05, 2021
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Studer Gabriel authored
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- Feb 20, 2021
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Bienchen authored
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- Feb 09, 2021
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Studer Gabriel authored
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- Dec 11, 2020
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Gerardo Tauriello authored
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Xavier Robin authored
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- Aug 06, 2020
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B13nch3n authored
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