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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -88,6 +88,7 @@ def test_multiple_morse_potential_restraints(cyclopentane_cyclohexane):
8888 restraints .add (restraint1 )
8989 assert restraints .num_restraints () == 2
9090
91+
9192def test_morse_potential_direct_morse_replacement (cyclopentane_cyclohexane ):
9293 """Tests that morse_potential restraints by default will remove the annihilated harmonic bond."""
9394 mols = cyclopentane_cyclohexane .clone ()
@@ -101,7 +102,7 @@ def test_morse_potential_direct_morse_replacement(cyclopentane_cyclohexane):
101102 de = "25 kcal mol-1" ,
102103 auto_parametrise = True ,
103104 )
104-
105+
105106 bonds0_mod_mol = mols [0 ].property ("bond0" )
106107 bonds1_mod_mol = mols [0 ].property ("bond1" )
107108 num_bonds0_mod_mol = len (bonds0_mod_mol .potentials ())
@@ -115,7 +116,10 @@ def test_morse_potential_direct_morse_replacement(cyclopentane_cyclohexane):
115116 assert num_bonds1_mod_mol == num_bonds1_org_mol
116117 assert num_bonds0_org_mol == num_bonds1_org_mol + 1
117118
118- def test_morse_potential_direct_morse_replacement_retain_harmonic (cyclopentane_cyclohexane ):
119+
120+ def test_morse_potential_direct_morse_replacement_retain_harmonic (
121+ cyclopentane_cyclohexane ,
122+ ):
119123 """Tests that morse_potential restraints can retain the annihilated harmonic bond, if specified."""
120124 mols = cyclopentane_cyclohexane .clone ()
121125 bonds0_org_mol = mols [0 ].property ("bond0" )
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