From 69f923953bbadd2b41488a75d64708eb2804ce68 Mon Sep 17 00:00:00 2001
From: Inigo Iribarren Aguirre <63478598+iribirii@users.noreply.github.com>
Date: Wed, 31 Jan 2024 09:58:55 +0100
Subject: [PATCH] Change 'print' by 'return' in main (#104)

* change print by return so it can be used in scripts
---
 rmsd/calculate_rmsd.py | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/rmsd/calculate_rmsd.py b/rmsd/calculate_rmsd.py
index 1262068..eafd729 100644
--- a/rmsd/calculate_rmsd.py
+++ b/rmsd/calculate_rmsd.py
@@ -1877,7 +1877,7 @@ 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):
 
     # Parse arguments
     settings = parse_arguments(args)
@@ -2051,15 +2051,16 @@ 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))
+        return result_rmsd 
 
 
 if __name__ == "__main__":
-    main()  # pragma: no cover
+    result = main()  # pragma: no cover
+    print(result)