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Improve error message #737

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merged 1 commit into from
Jan 20, 2025
Merged

Improve error message #737

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7 changes: 6 additions & 1 deletion src/biotite/structure/compare.py
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Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@
import collections.abc
import warnings
import numpy as np
from biotite.structure.atoms import AtomArrayStack, coord
from biotite.structure.atoms import AtomArray, AtomArrayStack, coord
from biotite.structure.celllist import CellList
from biotite.structure.chains import get_chain_count, get_chain_positions
from biotite.structure.geometry import index_distance
Expand Down Expand Up @@ -397,6 +397,11 @@ def lddt(
reference, atom_mask, partner_mask, inclusion_radius, exclude_same_residue
)
if symmetric:
if not isinstance(subject, AtomArray):
raise TypeError(
"Expected 'AtomArray' as subject, as symmetric lDDT is enabled, "
f"but got '{type(subject).__name__}'"
)
subject_contacts = _find_contacts(
subject, atom_mask, partner_mask, inclusion_radius, exclude_same_residue
)
Expand Down
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