def to_visjs_page(
self,
filename,
in_stock_colors={
True: "green",
False: "orange"
},
):
"""
Create a visualization of the combined reaction tree using the vis.js network library.
The HTML page and all the images will be put into a tar-ball.
:param filename: the name of the tarball
:type filename: str
:param in_stock_colors: the colors around molecules, defaults to {True: "green", False: "orange"}
:type in_stock_colors: dict, optional
"""
molecules = [node for node in self.graph if isinstance(node, Molecule)]
reactions = [
node for node in self.graph if not isinstance(node, Molecule)
]
frame_colors = [
in_stock_colors[self.graph.nodes[node].get("in_stock", False)]
for node in molecules
]
make_visjs_page(filename, molecules, reactions, self.graph.edges,
frame_colors)
def test_visjs_page(mocker, tmpdir, setup_graphviz_graph):
mkdtemp_patch = mocker.patch("aizynthfinder.utils.image.tempfile.mkdtemp")
mkdtemp_patch.return_value = str(tmpdir / "tmp")
os.mkdir(tmpdir / "tmp")
molecules, reactions, edges, frame_colors = setup_graphviz_graph
filename = str(tmpdir / "arch.tar")
image.make_visjs_page(filename, molecules, reactions, edges, frame_colors)
assert os.path.exists(filename)
with TarFile(filename) as tarobj:
assert "./route.html" in tarobj.getnames()
assert len([name for name in tarobj.getnames() if name.endswith(".png")]) == 1