Merge pull request #41 from nxtloveev3/main

Update solute_info.py
Liu-group · Mar 22, 2024 · a307c63 · a307c63
2 parents 8c0a7ac + 1dfc079
commit a307c63
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/autosolvate/solute_info.py b/autosolvate/solute_info.py
@@ -102,8 +102,8 @@ def corresponding_distance(self, column, column1, column2):
             Distance: int
 
         """
-        right = np.where(column == column.max())
-        left = np.where(column == column.min())
+        right = np.where(column == column.max())[0][0]
+        left = np.where(column == column.min())[0][0]
 
         dis = self.distance_3D(column[left], column1[left], column2[left], column[right], column1[right], \
                                column2[right])