# Errorcodes are there for the jit_functions
ERR_CODE_OK = 0
ERR_CODE_PhysicalMeaning = 200
[docs]
class PhysicalMeaning(Exception):
"""Raised when data is corrupted in a way, that it can not carry
any information of physical meaning.
"""
def __init__(self, message=""):
self.message = message
def __str__(self):
return repr(self.message)
ERR_CODE_UndefinedCoordinateSystem = 201
[docs]
class UndefinedCoordinateSystem(PhysicalMeaning):
"""Raised when there is no possibility to obtain a defined coordinate
system for the chosen construction table.
"""
pass
ERR_CODE_InvalidReference = 202
[docs]
class InvalidReference(UndefinedCoordinateSystem):
"""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``, and ``d``: 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
(:attr:`~chemcoord.Zmat.safe_loc` and :attr:`~chemcoord.Zmat.unsafe_loc`).
"""
def __init__(
self,
message=None,
i=None,
b=None,
a=None,
d=None,
already_built_cartesian=None,
zmat_after_assignment=None,
):
self.message = message
if i:
self.index = i
references = {"b": b, "a": a, "d": d}
references = {k: v for k, v in references.items() if v is not None}
if references:
self.references = references
if already_built_cartesian:
self.already_built_cartesian = already_built_cartesian.copy()
if zmat_after_assignment:
self.zmat_after_assignment = zmat_after_assignment.copy()
def __str__(self):
if self.message is None:
give_message = (
"Atom {i} uses an invalid/linear reference spanned by: {r}".format
)
return give_message(i=self.index, r=self.references)
else:
return repr(self.message)
[docs]
class IllegalArgumentCombination(ValueError):
"""Raised if the combination of correctly typed arguments is invalid."""
pass