def collapsable_card_ui(item, prefix, outer_collapse=False):
eta_ui = custom_input_group(
prepend_label="Asymmetry (η)",
append_label="",
id=f"{prefix}-eta",
debounce=True,
min=0.0,
max=1.0,
)
labels = ["alpha (α)", "beta (β)", "gamma (γ)"]
keys = ["alpha", "beta", "gamma"]
euler_angles_ui = [
custom_input_group(
prepend_label=label_,
append_label="deg",
id=f"{prefix}-{key_}",
debounce=True,
) for label_, key_ in zip(labels, keys)
]
return collapsable_card(
text=f"{prefix.replace('_',' ')}",
id_=prefix,
featured=[item, eta_ui],
hidden=euler_angles_ui,
message="Show/Hide Euler angles",
outer=outer_collapse,
)
def global_environment():
"""Generate a list of widgets whose entries are the sample global environment
parameter. The widgets includes flux density, rotor frequency, and rotor angle."""
flux_density = custom_input_group(
prepend_label="Magnetic flux density (B₀)",
append_label="T",
value=9.4,
id="magnetic_flux_density",
min=0.0,
debounce=True,
)
# rotor frequency
rotor_frequency = custom_input_group(
prepend_label="Rotor frequency (𝜈ᵣ)",
append_label="kHz",
value=0.0,
id="rotor_frequency",
min=0.0,
debounce=True,
)
# rotor angle
magic_angle = custom_button(
icon_classname="fas fa-magic",
tooltip="Set value to the magic angle.",
id="set-to-magic-angle",
className="icon-button",
module="html",
)
# dbc.Button(
# html.I(className="fas fa-magic"),
# color="light",
# id="set-to-magic-angle",
# size="sm",
# )
# datalist = html.Datalist([0, 54.7356103172, 90], id="datalist-magic-angle")
rotor_angle = custom_input_group(
prepend_label=html.Div(["Rotor angle (θᵣ)", magic_angle]),
append_label="deg",
value=54.7356103172,
id="rotor_angle",
max=90,
min=0,
debounce=True,
# list="datalist-magic-angle",
)
app.clientside_callback(
"""function(n) { return 54.7356103172; }""",
Output("rotor_angle", "value"),
Input("set-to-magic-angle", "n_clicks"),
)
return container(
text="Global Environment Parameters",
featured=[flux_density, rotor_frequency, rotor_angle],
)
def isotope_and_shift_ui():
def isotope_ui():
"""Isotope"""
label = dbc.InputGroupAddon("Isotope", addon_type="prepend")
select = dbc.Select(options=isotope_options_list,
value="1H",
id="isotope")
# callback to hide the quadrupolar fields when isotope is I=1/2
app.clientside_callback(
"""
function (isotope) {
hideQuad();
throw window.dash_clientside.PreventUpdate;
}
""",
Output("isotope", "value"),
[Input("isotope", "value")],
)
return dbc.InputGroup([label, select], className="input-form")
# isotropic chemical shift
isotropic_chemical_shift_ui = custom_input_group(
prepend_label="Isotropic chemical shift (δ)",
append_label="ppm",
id="isotropic_chemical_shift",
debounce=True,
)
return html.Div(
[isotope_ui(), isotropic_chemical_shift_ui],
className="container scroll-cards",
)
def ui(index, data=None, **kwargs):
scale = custom_input_group(
prepend_label="Factor",
value=1 if data is None else data["factor"],
min=0,
id={
"function": "scale",
"args": "factor",
"index": index
},
debounce=True,
)
return container(
text=[
"Scale",
custom_button(
icon_classname="fas fa-times",
id={
"type": "remove-post_sim-functions",
"index": index
},
className="icon-button",
module="html",
tooltip="Remove scaling module.",
),
],
featured=scale,
)
def experiment_ui():
# upload experiment dataset
tooltip = (
"Click to attach a measurement file to the selected method. "
"Alternatively, drag and drop the file onto the Simulation area.")
icon = html.I(className="fas fa-paperclip fa-lg", title=tooltip)
clip_btn = html.Button(icon, className="icon-button")
upload = dcc.Upload(clip_btn, id="import-measurement-for-method")
# label = dbc.InputGroupAddon("Measurement data", addon_type="prepend")
# upload_ui = dbc.InputGroup([label, upload], className="input-form")
# standard deviation
calc_tooltip = (
"Click to calculate the noise standard deviation from the selected region of ∂"
"the experiment spectrum.")
calc_icon = html.I(className="fas fa-calculator", title=calc_tooltip)
calc_btn = html.Button(calc_icon,
id="calc-sigma-button",
className="icon-button")
sigma = custom_input_group(
prepend_label=
"Noise standard deviation (σ)", # Text overwraps the input field
append_label=calc_btn,
value=1.0,
min=1e-6,
id="measurement-sigma",
debounce=True,
)
return container(
text=["Experiment", upload],
featured=[sigma],
)
def supersampling():
return custom_input_group(
prepend_label="Supersampling",
append_label="Hz",
value=1,
id="INV-supersampling",
min=0,
debounce=True,
)
def magnetic_flux_density():
return custom_input_group(
prepend_label="Magnetic flux density B₀)",
append_label="T",
value=9.4,
id="INV-kernel-flux",
min=0.0,
debounce=True,
)
def dim_parameters(i, label):
label = dbc.Label(label)
count = custom_input_group(
prepend_label="Count",
append_label="",
value=25,
id=f"INV-dimension-{i}-count",
min=0,
debounce=True,
)
increment = custom_input_group(
prepend_label="Increment",
append_label="Hz",
value=370,
id=f"INV-dimension-{i}-increment",
min=1e-9,
debounce=True,
)
return dbc.Col([label, count, increment], md=6)
def rotor_angle():
return custom_input_group(
prepend_label="Rotor angle (θᵣ)",
append_label="deg",
value=54.735,
id="INV-kernel-rotor_angle",
max=90,
min=0,
debounce=True,
)
def arguments(index):
return custom_input_group(
prepend_label="FWHM",
append_label="Hz",
value=10 if data is None else data["FWHM"].split(" ")[0],
min=0,
id={"function": "apodization", "args": "FWHM", "index": index},
debounce=True,
pattern="[0-9]*",
)
def quadrupolar_ui():
Cq_ui = custom_input_group(
prepend_label="Coupling constant (Cq)",
append_label="MHz",
id="quadrupolar-Cq",
debounce=True,
)
# asymmetry and Euler angles
return collapsable_card_ui(Cq_ui, "quadrupolar", True)
def shielding_symmetric_ui():
zeta_ui = custom_input_group(
prepend_label="Anisotropy (ζ)",
append_label="ppm",
id="shielding_symmetric-zeta",
debounce=True,
)
# asymmetry and Euler angles
return collapsable_card_ui(zeta_ui, "shielding_symmetric")
def inversion():
return dbc.Card([
# dbc.CardHeader(html.H4("Parameters")),
custom_input_group(
prepend_label="l1 weight λ",
append_label="",
value=1e-7,
id="INV-l1",
min=0,
debounce=True,
),
custom_input_group(
prepend_label="l2 weight α",
append_label="",
value=1e-6,
id="INV-l2",
min=0,
debounce=True,
),
dbc.Button("Invert", id="INV-solve"),
])
def spectral_dimension_ui(i):
"""Return a list of widgets whose entries are used in evaluating the dimension
coordinates along the i^th dimension. The widgets includes number of points (count),
spectral width, and reference offset.
Args:
i: An integer with the dimension index.
"""
# count
count = custom_input_group(
prepend_label="Number of points",
value=512,
min=2,
id=f"count-{i}",
debounce=True,
pattern="[0-9]*",
)
# spectral width
spectral_width = custom_input_group(
prepend_label="Spectral width",
append_label="kHz",
value=25.0,
min=1e-6,
id=f"spectral_width-{i}",
debounce=True,
)
# reference offset
reference_offset = custom_input_group(
prepend_label="Reference offset",
append_label="kHz",
value=0.0,
id=f"reference_offset-{i}",
debounce=True,
)
# origin offset
# origin_offset = custom_input_group(
# prepend_label="Origin offset",
# append_label="MHz",
# value=0.0,
# id=f"origin_offset-{i}",
# debounce=True,
# )
# origin offset
label = custom_input_group(
prepend_label="Label",
append_label="",
input_type="text",
value="frequency",
id=f"label-{i}",
debounce=True,
)
return collapsable_card(
text=f"Spectral Dimension - {i}",
id_=f"dim-{i}",
featured=[count, spectral_width, reference_offset],
hidden=[label],
message="Show/Hide",
outer=True,
)