ENH,WIP: Add an option for inverting the core vectors

[BvB93]

This PR adds the surface_invert and sphere_invert options for optional.core.allignment,
which are used for inverting the core vectors.

Examples

core:
    optional:
        allignment: surface_invert

[codecov]

Codecov Report

Merging #208 (fa26fe8) into master (988a910) will increase coverage by 0.16%.
The diff coverage is 89.47%.

@@            Coverage Diff             @@
##           master     #208      +/-   ##
==========================================
+ Coverage   67.27%   67.43%   +0.16%     
==========================================
  Files          48       48              
  Lines        3890     3900      +10     
  Branches      697      699       +2     
==========================================
+ Hits         2617     2630      +13     
+ Misses       1116     1114       -2     
+ Partials      157      156       -1     

Impacted Files	Coverage Δ
CAT/attachment/ligand_attach.py	75.08% <77.77%> (+1.09%)	⬆️
CAT/base.py	68.60% <100.00%> (+0.18%)	⬆️
CAT/data_handling/validation_schemas.py	92.07% <100.00%> (+0.16%)	⬆️
CAT/utils.py	70.04% <100.00%> (+0.81%)	⬆️

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