make sure input filename has .cif extension

lsmo-epfl / aiida-zeopp

AiiDA plugin for zeo++

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make sure input filename has .cif extension #50

Closed ltalirz closed 4 years ago

ltalirz commented 4 years ago

The 'network' binary infers the format of the input file from its extension. Files stored in CifData nodes are not guaranteed to end in .cif.

coveralls commented 4 years ago

Pull Request Test Coverage Report for Build 298

39 of 40 (97.5%) changed or added relevant lines in 7 files are covered.
No unchanged relevant lines lost coverage.
Overall coverage increased (+0.2%) to 92.848%

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
aiida_zeopp/data/parameters.py	4	5	80.0%
<!--	Total:	39	40	97.5%	-->

Totals
Change from base Build 285:	0.2%
Covered Lines:	2168
Relevant Lines:	2335

💛 - Coveralls

danieleongari commented 4 years ago

Hi, this is still not working because in the _aiidasubmit.sh the file is still reported without extension. Also I see that in parsers/network there is another inconsistent part @ line 97:

        # add name of input structures as parameter
        output_parameters.set_attribute('Input_structure_filename',
                                        self.node.inputs.structure.filename)

This also stress the concept on how difficult is for the design of a plugin not to have the .cif extension mandatory for the filename of a CifData.

ltalirz commented 4 years ago

ok, sorry - I was anyhow planning to add a test. will add a test and fix this