Skip to content

Commit

Permalink
fix test
Browse files Browse the repository at this point in the history
  • Loading branch information
maclandrol committed Jan 17, 2024
1 parent b444632 commit 03a2473
Showing 1 changed file with 24 additions and 0 deletions.
24 changes: 24 additions & 0 deletions tests/test_viz_lasso_highlight.py
Original file line number Diff line number Diff line change
Expand Up @@ -17,6 +17,30 @@ def test_from_mol():
assert dm.lasso_highlight_image(mol, smarts_list)


def test_with_highlight():
smi = "CO[C@@H](O)C1=C(O[C@H](F)Cl)C(C#N)=C1ONNC[NH3+]"
mol = dm.to_mol(smi)
smarts_list = "CONN"
highlight_atoms = [4, 5, 6]
highlight_bonds = [1, 2, 3, 4]
highlight_atom_colors = {4: (230, 230, 250), 5: (230, 230, 250), 6: (230, 230, 250)}
highlight_bond_colors = {
1: (230, 230, 250),
2: (230, 230, 250),
3: (230, 230, 250),
4: (230, 230, 250),
}
assert dm.lasso_highlight_image(
mol,
smarts_list,
highlight_atoms=highlight_atoms,
highlight_bonds=highlight_bonds,
highlight_atom_colors=highlight_atom_colors,
highlight_bond_colors=highlight_bond_colors,
continuousHighlight=False,
)


def test_original_working_solution_list_single_str():
smi = "CO[C@@H](O)C1=C(O[C@H](F)Cl)C(C#N)=C1ONNC[NH3+]"
smarts_list = ["CONN"]
Expand Down

0 comments on commit 03a2473

Please sign in to comment.