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Deferring #394

Merged
merged 3 commits into from
Dec 7, 2021
Merged

Deferring #394

merged 3 commits into from
Dec 7, 2021

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Tsjerk
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@Tsjerk Tsjerk commented Dec 6, 2021

This PR changes file_writer.open to file_writer.deferred_open and adds defer_writing=TRUE as boolean keyword argument to writing functions, so as to allow both direct as well as deferred writing (e.g. in write_pdb). Overwriting the function 'open' with file_writer.DeferredWriter().open was never a good idea.

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Looks good to me. One request though. In bin/martinize2:pdb_to_universal there is some logic involving the write_graph/repair/canon that can/should now be simplified.

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Tsjerk commented Dec 6, 2021

Looks good to me. One request though. In bin/martinize2:pdb_to_universal there is some logic involving the write_graph/repair/canon that can/should now be simplified.

Added changes in martinize2.

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pckroon commented Dec 7, 2021

The failing test is hypothesis finding a unicorn, pylint failure seems a bug in pylint, since the score should be more than high enough, docs failure seems due to a change in nx.
Approved for merging.

@pckroon pckroon merged commit 3322950 into master Dec 7, 2021
@pckroon pckroon deleted the deferring branch December 7, 2021 15:41
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2 participants