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aiidateam / aiida_core / 6539
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Build:
DEFAULT BRANCH: develop
Ran 30 Jun 2019 08:19PM UTC
Jobs 4
Files 392
Run time 8min
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Fix potential inefficiency in `aiida.tools.data.cif` converters (#3098)

Recently, the `BackendNode` interface and implementation was changed
significantly with respect to attributes and extras. As a result, the
values on unstored nodes are not cleaned *until* the node is stored.
That means that unstored nodes can contain attributes and extras with
uncleaned values. For example an unstored `Dict` node can contained
stored `Float` nodes. This change becomes problematic in the
implementation of `_get_aiida_structure_pymatgen_inline` and
`_get_aiida_structure_ase_inline` of `aiida.tools.data.cif`. The
`parameters` keyword argument can be an unstored `Dict` node, if the
functions are run with `store_provenance=False`. Since it is unstored,
it can contain *stored* nodes for the values within them. For example,
the `site_tolerance` can be a stored `Float`. Since they are overloaded
native float objects, they can be passed to pymatgens `CifParser`
without it complaining. However, now whenever that class references the
value, since it is a stored node, the `ModelWrapper` will cause the
model instance to be refreshed from the database, which becomes
prohibitively expensive. Simply calling `clean_value` on the
`parameters` beforehand, will cause these nodes to be dereferenced into
their base values, which solves the issue.

23961 of 32393 relevant lines covered (73.97%)

2.74 hits per line

Jobs
ID Job ID Ran Files Coverage
5 6539.5 (TEST_AIIDA_BACKEND=django TEST_TYPE="tests") 30 Jun 2019 08:19PM UTC 0
67.81
Travis Job 6539.5
6 6539.6 (TEST_AIIDA_BACKEND=django TEST_TYPE="tests") 30 Jun 2019 08:26PM UTC 0
67.75
Travis Job 6539.6
7 6539.7 (TEST_AIIDA_BACKEND=sqlalchemy TEST_TYPE="tests") 30 Jun 2019 08:26PM UTC 0
69.37
Travis Job 6539.7
8 6539.8 (TEST_AIIDA_BACKEND=sqlalchemy TEST_TYPE="tests") 30 Jun 2019 08:28PM UTC 0
69.28
Travis Job 6539.8
Source Files on build 6539
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