Commits on Jun 27, 2020

1. PpCalculation: add support for retrieving and parsing multiple files …

   The implementation of the `PpCalculation` and `PpParser` assumed that
   the code would always only produce on output file with pre-processed
   data and one output file with the data formatted in a custom plot
   format. However, for certain input parameter combinations, such as
   `INPUTPP.plot_num = 7` where more than a single band is requested, a
   pair of outputfiles is produced for each band. The filename of the data
   file has `INPUTPP.filplot` as a prefix, with some kind of suffix to
   distinguish it from the others. The corresponding plot file will use
   that filename as a prefix with the `PLOT.fileout` value as a suffix.
   For example, for the inputs:
   
       INPUTPP
           filplot = 'aiida.filplot'
       PLOT
           fileout = 'aiida.fileout'
   
   The data files will be named `aiida.filplot_K1_B1` and the plot files
   are formatted as `aiida.filplot_K1_B1aiida.fileout`.
   
   To support this use case, the `PpCalculation` is updated to not just
   retrieve a single file, but add a directive to the `retrieve_files` or
   `retrieve_temporary_list` that contains the corresponding globbing
   pattern. The `PpParser` then simply loops over the content of the
   retrieved (temporary) folder and parses each file whose filename matches
   the pattern described above. We assume that if there are more than one
   file, they all have the exact same format and so can be parsed with the
   same logic.
   
   Since now there are potentially more than one parsed output `ArrayData`
   node, the `output_data` port, which is not a namespace can not be used.
   To keep backwards compatibility, we add the `output_data_multiple`
   namespace, which is used if more than one output plot file is parsed.

   

   sphuber committed Jun 27, 2020
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