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Adding entry attribute modification. #860

Merged
merged 22 commits into from
Dec 19, 2024
Merged

Adding entry attribute modification. #860

merged 22 commits into from
Dec 19, 2024

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sjayellis
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@sjayellis sjayellis commented Dec 5, 2024 •
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Description

This PR aims to add the ability to modify the attributes and the comment of an entry within a dataset.
Similar to renaming an entry, this takes a mapping of entry names to the updated attribute values.
Attribute values can be overwritten of added to.

Status

  • Code base linted
  • Ready to go

test and others added 22 commits December 5, 2024 12:07
Adding modify_entries to qcfractal socket and routes.
fac90bd
Adding modify_entries to qcportal.
f9bb907
Adding testing functions for the modify_entries behavior.
f7518d5
Running Black over the changed files.
ace2761
Removing some unnecessary comments.
a27bc6d
Only fetching relevant entries.
4978185
Correcting variable name.
cfa280c
Converting keys to list. Updating testing target.
89280ed
Fixing test assert.
79439cb
Removing set from assert.
1431904
Updating behavior of modify_entries.
48c836d
Checking for None in data_socket.
581bea2
Protecting if statements from NoneType.
fa54ba9
Correcting expected test values and SQLAlchemy behavior.
23d721e
Nonetype protection in dataset_model.
d4188f2
Changing type sent to fetch_entries.
16909e5
Re-organizing fetch_entries set.
1911930
@bennybp
make_list should tolerate sets
dfc28c1
Changing overwrite_entries to overwrite_attributes.
b567dca
Revert "Changing overwrite_entries to overwrite_attributes."
81535bf 
This reverts commit b567dca.
Updating overwrite_entries to be overwrite_attributes.
2e4f315
Removing extra variable and record test.
3532294
@bennybp bennybp self-requested a review December 19, 2024 14:45
bennybp
bennybp approved these changes Dec 19, 2024
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Looks great! Thanks!

@bennybp bennybp merged commit 4bd800c into MolSSI:main Dec 19, 2024
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@bennybp bennybp bennybp approved these changes

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2 participants
@sjayellis @bennybp