chemcoord.exceptions.InvalidReference
- exception chemcoord.exceptions.InvalidReference(message=None, i=None, b=None, a=None, d=None, already_built_cartesian=None, zmat_after_assignment=None)[source]
Raised when the i-th atom uses an invalid reference.
May carry several attributes:
i
: Index of the atom with an invalid refernce.b
,a
, andd
: Indices of reference atoms.already_built_cartesian
: The cartesian of all atoms up to (i-1)zmat_after_assignment
: Attached information if it was raised from the safe assignment methods (Zmat.safe_loc()
andZmat.unsafe_loc()
).