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Change 'print' by 'return' in main #104

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Merged
charnley merged 3 commits into from
Jan 31, 2024
Merged

Change 'print' by 'return' in main #104

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50e3e27
change print by return so it can be used in scripts
iribirii Jan 24, 2024
ec3462d
change print by return so it can be used in scripts
iribirii Jan 24, 2024
417932a
change print by return so it can be used in scripts
iribirii Jan 24, 2024
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change print by return so it can be used in scripts
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@iribirii
iribirii committed Jan 24, 2024
commit 50e3e27f949a7d6b6361e70b0db7bad2a477bb15
11 changes: 7 additions & 4 deletions rmsd/calculate_rmsd.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1877,7 +1877,8 @@ def parse_arguments(arguments: Optional[Union[str, List[str]]] = None) -> argpar
return args


def main(args: Optional[List[str]] = None) -> None:
# def main(args: Optional[List[str]] = None) -> None:
def main(args: Optional[List[str]] = None):

# Parse arguments
settings = parse_arguments(args)
Expand Down Expand Up @@ -2051,15 +2052,17 @@ def main(args: Optional[List[str]] = None) -> None:

# done and done
xyz = set_coordinates(q_all_atoms, q_coord, title=f"{settings.structure_b} - modified")
print(xyz)
return xyz

else:

if not result_rmsd:
result_rmsd = rmsd_method(p_coord, q_coord)

print("{0}".format(result_rmsd))
# print("{0}".format(result_rmsd))
return result_rmsd


if __name__ == "__main__":
main() # pragma: no cover
result = main() # pragma: no cover
print(f'result {result}')