Make capital the methods
@@ -85,7 +85,7 @@ def TDDSFixture():
def test_plot_torsiondrive_dataset(TDDSFixture):
client, ds = TDDSFixture
- ds.visualize("c1ccc(cc1)N-[3, 5, 6, 12]", ["b3lyp-d3", "uff"], units="kJ / mol", return_figure=True)
+ ds.visualize("c1ccc(cc1)N-[3, 5, 6, 12]", ["B3LYP-D3", "UFF"], units="kJ / mol", return_figure=True)
ds.visualize(
["c1ccc(cc1)N-[3, 5, 6, 12]", "CCCNc1ccc(cc1)Cl-[1, 4, 9, 8]"], "uff", relative=False, return_figure=True)
