def update_message(self, new_store_contents, *args):
try:
self.update_contents(new_store_contents, *args)
except Exception as exception:
self.logger.error(
f"Callback error.",
exc_info=True,
extra={"store_contents": new_store_contents},
)
error_header = (
"An error was encountered when trying to load this component, "
"please report this if it seems like a bug, thank you!")
# TODO: add GitHub Issue badge to error message box
return MessageContainer(
[
MessageHeader("Error"),
MessageBody([
html.Div(error_header),
dcc.Markdown("> {}".format(traceback.format_exc())),
]),
],
kind="danger",
)
else:
return html.Div()
def update_graph(figure):
if figure is None:
raise PreventUpdate
elif figure == "too_many_elements":
search_error = (MessageContainer(
[
MessageBody(
dcc.Markdown(
"Pourbaix diagrams may only be calculated for materials "
"with {} or fewer non-OH elements".format(
SUPPORTED_N_ELEMENTS)))
],
kind="warning",
), )
return search_error
else:
plot = [
dcc.Graph(
figure=figure,
config={
"displayModeBar": False,
"displaylogo": False
},
)
]
return plot
def run_robocrys_analysis(new_store_contents):
print("Robocrys callback fired")
struct = self.from_data(new_store_contents)
try:
condenser = StructureCondenser()
describer = StructureDescriber()
condensed_structure = condenser.condense_structure(struct)
description = describer.describe(condensed_structure)
except Exception as exc:
description = str(exc)
return MessageContainer(
MessageBody([
f"{description} – ",
html.A(
f"🤖 robocrys v{robocrys_version}",
href=
"https://github.com/hackingmaterials/robocrystallographer",
style={"white-space": "nowrap"},
),
]),
kind="dark",
)
def update_contents(self, new_store_contents):
struct = self.from_data(new_store_contents)
condenser = StructureCondenser()
describer = StructureDescriber()
condensed_structure = condenser.condense_structure(struct)
description = describer.describe(condensed_structure)
return MessageContainer(MessageBody([
f"{description} – ",
html.A(
f"🤖 robocrys v{robocrys_version}",
href="https://github.com/hackingmaterials/robocrystallographer",
style={"white-space": "nowrap"},
),
]),
kind="dark")
def load_contents(panel_n_clicks, store_contents, *args):
"""
Only update panel contents if panel is open by default, to speed up
initial load time.
"""
panel_initially_open = args[-1]
# if the panel outputs data, we have to make sure callbacks are fired
# regardless of if the panel is open or not
if (not self.has_output) and ((panel_n_clicks is None) or
(panel_initially_open is None)):
raise PreventUpdate
if not store_contents:
return html.Div(), html.Div()
try:
return self.update_contents(store_contents,
*args[:-1]), html.Div()
except Exception as exception:
self.logger.error(
f"Callback error.",
exc_info=True,
extra={"store_contents": store_contents},
)
error_header = (
"An error was encountered when trying to load this component, "
"please report this if it seems like a bug, thank you!")
# TODO: add GitHub Issue badge to error message box
return (
html.Div(),
MessageContainer(
[
MessageHeader("Error"),
MessageBody([
html.Div(error_header),
dcc.Markdown(f"> {traceback.format_exc()}"),
]),
],
kind="danger",
),
)
def container_layout(self, state=None, structure=None) -> html.Div:
"""
:return: Layout defining transformation and its options.
"""
container = MessageContainer(
[
MessageHeader(
html.Div([
self._sub_layouts["enable"],
html.Span(
self.title,
style={
"vertical-align": "middle",
"margin-left": "1rem",
},
),
])),
MessageBody([
Columns([
Column([
self._sub_layouts["description"],
html.Br(),
html.Div(
self.options_layouts(state=state,
structure=structure)),
html.Br(),
self._sub_layouts["message"],
])
])
]),
],
kind="dark",
id=self.id("container"),
)
return container
def run_transformations(*args):
# do not update if we don't have a Structure to transform
if not args[-2]:
raise PreventUpdate
user_visible_transformations = args[-1]
struct = self.from_data(args[-2])
# for debug
# print("input struct", struct)
errors = []
transformations = []
for transformation in args[:-2]:
if transformation:
transformations.append(transformation)
if not transformations:
return struct # , html.Div()
for transformation_data in transformations:
# following our naming convention, only apply transformations
# that are user visible
# TODO: this should be changed
if (f"{transformation_data['@class']}Component"
in user_visible_transformations):
struct, error = apply_transformation(
transformation_data, struct)
if error:
errors += error
if not errors:
error_msg = html.Div()
else:
errors = [
dcc.Markdown(
"Crystal Toolkit encountered an error when trying to "
"applying your chosen transformations. This is usually "
"because either the input crystal structure is not "
"suitable for the transformation, or the choice of "
"transformation settings is not appropriate. Consult "
"the pymatgen documentation for more information. \n"
""
"If you think this is a bug please report it. \n"
"")
] + errors
error_msg = html.Div([
MessageContainer(
[
MessageHeader("Error applying transformations"),
MessageBody(errors),
],
kind="danger",
),
html.Br(),
])
# for debug
# print("transformed struct", struct)
return struct # , error_msg