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This is weird indeed. @nestorwendt's recent PR #1566 went over the behavior of those lines (the one in question seems to be the check whether an undefined dihedral returns a nan).
There should be little numerical instability in this particular check, since it's the case where all four dihedral atoms' positions are [0., 0., 0.].
defchk_same_position(x_id, y_id, hasval='nan'):
"""Handling nan/inf: check that x and y have the nan/inf at the same locations."""try:
err_msg+'\nx and y %s location mismatch:'% (hasval), verbose=verbose, header=header,
names=('x', 'y'), precision=precision)
Ex: array([ 0. , 0. , 3.14159, 0.50714])
Ey: array([ nan, nan, 3.14159, -0.50714], dtype=float32)
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