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from oasa.periodic_table import formula_dict
mols, unique = App.paper.selected_to_unique_top_levels()
colors = ["#cc0000","#00ff00","#0000ff","#ff00ff","#00ffff","#ff5500"]
for mol in mols:
if mol.object_type == "molecule":
current_selected_bonds = set(mol.bonds) & set(App.paper.selected_bonds)
if current_selected_bonds:
for b in current_selected_bonds:
mol.temporarily_disconnect_edge(b)
fragments = list(mol.get_connected_components())
mol.reconnect_temporarily_disconnected_edges()
for i, fragment in enumerate(fragments):
color = colors[i%len(colors)]
frag_bonds = mol.vertex_subgraph_to_edge_subgraph(fragment) - current_selected_bonds
for x in fragment | frag_bonds:
x.line_color = color
x.redraw()
formula = sum([atom.get_formula_dict() for atom in fragment], formula_dict())
text = "%s: %.8f" % (formula.get_html_repr_as_string(), formula.get_exact_molecular_mass())
text_obj = App.paper.new_text(0, 0, text)
text_obj.line_color = color
text_obj.draw()
App.paper.place_next_to_bbox("b", "r", 10+20*i, text_obj, mol.bbox())
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