6539
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Ran 30 Jun 2019 08:19PM UTC

Jobs 4

Files 392

Run time 8min

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Build # 6539

Build Type

push

travis-ci

Committed by

web-flow

Commit Message

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.

Run Details

23961 of 32393 relevant lines covered (73.97%)

2.74 hits per line

Jobs

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

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