basic rspt parser

[JFRudzinski]

This is basically a shell parser so that some users can upload DFT and DMFT data from the RSPt software and have minimal search capabilities, etc. They will then work on developing a "real" parser for their code which can later be used for reprocessing

[JFRudzinski]

@ladinesa This is meant to be a quick solution for some users who belong to a large collaborative project. I set this up so that they can meet some deadline for a report/publication, but will then set them up on a route to creating a proper plugin with the new schema.

I am sure that my approach here is hacky, but also I do not want to spend too much more time on it, so if you can identify the essentials to make it acceptable in your opinion, that would be great.

I am waiting for some feedback from my data steward contact, but I think we can mostly still finalize in the mean time.

[ladinesa]

Maybe add a test data, just maybe parse it in test no need to assert any quantity.

[coveralls]

Pull Request Test Coverage Report for Build 15704995843

Details

• 59 of 63 (93.65%) changed or added relevant lines in 4 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage increased (+0.001%) to 92.964%

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Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
tests/test_rsptparser.py	10	11	90.91%
electronicparsers/rspt/parser.py	47	50	94.0%

Totals
Change from base Build 14973061274:	0.001%
Covered Lines:	35897
Relevant Lines:	38614

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💛 - Coveralls

[JFRudzinski]

Maybe add a test data, just maybe parse it in test no need to assert any quantity.

Question about the logger for tests:

If I leave my logger statements as they are, i.e., using the input logger from the parse() function, then the logger output shows up in the GUI when I launch locally, but when I run pytest the logger is None.

On the other hand, if I instead set self.logger = get_logger(__name__) in the parser init() function and use that instead, then the pytest logs properly, but the logger output does not show up in the GUI when I launch locally.

Do you understand this? What is the correct approach?

[ladinesa]

in parse, logger = logger if logger is not None else get_logger(__name__)