ENH: Validate whether a psf and molecule actually match

[BvB93]

Explicitly check whether the atom count and atom types of a .psf file match those of its companion .xyz file.

Example

Traceback (most recent call last):
    ...
scm.plams.core.errors.MoleculeError: Found 705 mismatched atoms between psf and mol:

Index (1-based) 257  258  259  260  261   ... 1368 1370 1371 1372 1373
psf                N    C    H    H    H  ...    H    C    C    O    O
mol               Br   Br   Br   Br   Br  ...    C    H    H    H    H

[codecov[bot]]

Codecov Report

Merging #284 (af4a705) into master (a3d22ac) will decrease coverage by 0.14%. The diff coverage is 70.27%.

@@            Coverage Diff             @@
##           master     #284      +/-   ##
==========================================
- Coverage   72.44%   72.31%   -0.14%     
==========================================
  Files          66       66              
  Lines        7113     7129      +16     
  Branches     1494     1497       +3     
==========================================
+ Hits         5153     5155       +2     
- Misses       1635     1645      +10     
- Partials      325      329       +4     

Impacted Files	Coverage Δ
FOX/io/read_psf.py	78.42% <31.25%> (-1.50%)	:arrow_down:
FOX/armc/guess.py	82.85% <100.00%> (+0.12%)	:arrow_up:
FOX/classes/multi_mol_magic.py	88.88% <100.00%> (ø)

... and 1 file with indirect coverage changes