[ENH] Small addition of a function to save descriptors as a numpy array from the Calculator API

[ricardonpa]

No description provided.

[amkrajewski]

Hi @rdamaral ! Thanks for the PR. Could you add at least a runtime test to our suite? Ideally, make it bidirectional.

[amkrajewski]

You can refer to https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/tests/test_pysipfenn.py#L288 :)

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 94.84%. Comparing base (db97b94) to head (74a31dd).

Additional details and impacted files

@@            Coverage Diff             @@
##             main      #15      +/-   ##
==========================================
+ Coverage   94.79%   94.84%   +0.05%     
==========================================
  Files          17       17              
  Lines        1977     1999      +22     
==========================================
+ Hits         1874     1896      +22     
  Misses        103      103              

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[amkrajewski]

@rdamaral Almost there! We need to test the default destination persistence, too. Have a look at uncovered lines on Codecov report above :)

[amkrajewski]

Looks great! It's ready to be merged.