Skip to content

Commit 85a84d3

Browse files
committed
remove Xv from Xo decrement_bond
1 parent 6925474 commit 85a84d3

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

rmgpy/molecule/atomtype.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -642,7 +642,7 @@ def get_features(self):
642642

643643
ATOMTYPES['X'].set_actions(increment_bond=['X'], decrement_bond=['X'], form_bond=['X'], break_bond=['X'], increment_radical=[], decrement_radical=[], increment_lone_pair=[], decrement_lone_pair=[], increment_charge=[], decrement_charge=[])
644644
ATOMTYPES['Xv'].set_actions(increment_bond=[], decrement_bond=[], form_bond=['Xo'], break_bond=[], increment_radical=[], decrement_radical=[], increment_lone_pair=[], decrement_lone_pair=[], increment_charge=[], decrement_charge=[])
645-
ATOMTYPES['Xo'].set_actions(increment_bond=['Xo'], decrement_bond=['Xo','Xv'], form_bond=[], break_bond=['Xv'], increment_radical=[], decrement_radical=[], increment_lone_pair=[], decrement_lone_pair=[], increment_charge=[], decrement_charge=[])
645+
ATOMTYPES['Xo'].set_actions(increment_bond=['Xo'], decrement_bond=['Xo'], form_bond=[], break_bond=['Xv'], increment_radical=[], decrement_radical=[], increment_lone_pair=[], decrement_lone_pair=[], increment_charge=[], decrement_charge=[])
646646

647647
ATOMTYPES['R'].set_actions(increment_bond=['R'], decrement_bond=['R'], form_bond=['R'], break_bond=['R'], increment_radical=['R'], decrement_radical=['R'], increment_lone_pair=['R'], decrement_lone_pair=['R'], increment_charge=['R'], decrement_charge=['R'])
648648
ATOMTYPES['R!H'].set_actions(increment_bond=['R!H'], decrement_bond=['R!H'], form_bond=['R!H'], break_bond=['R!H'], increment_radical=['R!H'], decrement_radical=['R!H'], increment_lone_pair=['R!H'], decrement_lone_pair=['R!H'], increment_charge=['R!H'], decrement_charge=['R!H'])

0 commit comments

Comments
 (0)