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Update MDANSE/Src/MDANSE/IO/MinimalPDBReader.py
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Co-authored-by: Jacob Wilkins <[email protected]>
Signed-off-by: Maciej Bartkowiak <[email protected]>
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MBartkowiakSTFC and oerc0122 authored Feb 11, 2025
1 parent 8a0d3b9 commit b6be70b
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion MDANSE/Src/MDANSE/IO/MinimalPDBReader.py
Original file line number Diff line number Diff line change
Expand Up @@ -168,7 +168,7 @@ def build_chemical_system(self, atom_lines: Iterable[str]) -> None:
if atom_name[-2:].isnumeric():
backup_elements.append(atom_name[0])

for trial in (chemical_element, processed_atom_name, *backup_elements):
for trial in (*backup_elements, chemical_element, processed_atom_name):
if trial in ATOMS_DATABASE.atoms:
element_list.append(trial)
break
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