@@ -1665,27 +1665,27 @@ def _connect_surface_sites(self):
16651665 sites = [a for a in self .molecule .atoms if a .is_surface_site ()]
16661666 if len (sites ) > 4 :
16671667 return
1668- for atom1 in sites :
1669- other_sites = [a for a in sites if a != atom1 ]
1668+ for site1 in sites :
1669+ other_sites = [a for a in sites if a != site1 ]
16701670 if not other_sites : break
16711671 # connect to the nearest site
1672- atom2 = min (other_sites , key = lambda a : len (find_shortest_path (atom1 , a )))
1673- bond = atom1 .bonds .get (atom2 )
1672+ site2 = min (other_sites , key = lambda a : len (find_shortest_path (site1 , a )))
1673+ bond = site1 .bonds .get (site2 )
16741674 if bond is None :
1675- bond = Bond (atom1 , atom2 , 1 )
1676- atom1 .bonds [atom2 ] = bond
1677- atom2 .bonds [atom1 ] = bond
1675+ bond = Bond (site1 , site2 , 1 )
1676+ site1 .bonds [site2 ] = bond
1677+ site2 .bonds [site1 ] = bond
16781678
16791679 def _disconnect_surface_sites (self ):
16801680 """
16811681 Removes all bonds between atoms that are surface sites.
16821682 """
1683- for atom1 in self .molecule .atoms :
1684- if atom1 .is_surface_site ():
1685- for atom2 in list (atom1 .bonds .keys ()): # make a list copy so we can delete from the dict
1686- if atom2 .is_surface_site ():
1687- del atom1 .bonds [atom2 ]
1688- del atom2 .bonds [atom1 ]
1683+ for site1 in self .molecule .atoms :
1684+ if site1 .is_surface_site ():
1685+ for site2 in list (site1 .bonds .keys ()): # make a list copy so we can delete from the dict
1686+ if site2 .is_surface_site ():
1687+ del site1 .bonds [site2 ]
1688+ del site2 .bonds [site1 ]
16891689
16901690
16911691################################################################################
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