Minor: Style modification in scheduler test

ReactionMechanismGenerator · Aug 16, 2023 · d40916d · d40916d
1 parent 98c1a81
commit d40916d
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/scheduler_test.py b/arc/scheduler_test.py
@@ -631,7 +631,7 @@ def test_check_rxn_e0_by_spc(self):
                      {'element': {'number': 1, 'isotope': -1}, 'radical_electrons': 0, 'charge': 0, 'label': '',
                       'lone_pairs': 0, 'id': -26573, 'props': {'inRing': False}, 'atomtype': 'H',
                       'edges': {-26580: 1.0}}], 'multiplicity': 2, 'props': {},
-                                                            'atom_order': [-26582, -26581, -26580, -26579, -26578, -26577, -26576, -26575, -26574, -26573]},
+                     'atom_order': [-26582, -26581, -26580, -26579, -26578, -26577, -26576, -26575, -26574, -26573]},
                             'initial_xyz': 'C      -0.94073000   -1.08641400   -0.13521400\nC      -0.33120900    0.27400500   -0.10738200\nC       1.03297600    0.48550500    0.47374300\nH      -0.34195200   -1.93903700    0.19367700\nH      -2.02636000   -1.19201700   -0.17452300\nH      -0.43853800   -0.46541200   -1.16876000\nH      -1.02644700    1.11801000   -0.14324700\nH       1.47599100    1.43717700    0.14587900\nH       1.72184900   -0.32388500    0.18160800\nH       1.00079200    0.49179200    1.58006000',
                             'final_xyz': 'C      -0.94403900   -1.08919600   -0.13528100\nC      -0.33161500    0.27504900   -0.10775400\nC       1.03465100    0.48772700    0.47568400\nH      -0.35007600   -1.93768200    0.18473700\nH      -2.02160800   -1.19512500   -0.17500700\nH      -0.44246400   -0.46665500   -1.16369500\nH      -1.02252600    1.11305500   -0.14369600\nH       1.47717100    1.43311000    0.14664900\nH       1.72023500   -0.31816900    0.18700200\nH       1.00664300    0.49760900    1.57720100',
                             'checkfile': '/storage/ce_dana/alongd/runs/ARC/debug13/calcs/TSs/TS0/opt_a24061/check.chk'},