Spaces:
Sleeping
Sleeping
dzs commited on
Commit ·
5384735
1
Parent(s): 350f14a
restructured layout code so easier to edit
Browse files- main_layout.py +697 -572
main_layout.py
CHANGED
|
@@ -1,21 +1,130 @@
|
|
| 1 |
from dash import html, dcc
|
| 2 |
import dash_bootstrap_components as dbc
|
|
|
|
|
|
|
|
|
|
| 3 |
from data.functions import *
|
| 4 |
from figure import build_figure
|
| 5 |
|
| 6 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 7 |
n = len(soluteData)
|
| 8 |
-
|
| 9 |
-
|
| 10 |
-
|
| 11 |
-
|
| 12 |
-
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
| 17 |
placeholder_fig = build_figure(df0)
|
| 18 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
| 19 |
placeholder_fig.add_annotation(
|
| 20 |
text="Click 'Calculate' to run model",
|
| 21 |
xref="paper",
|
|
@@ -23,590 +132,606 @@ def build_main_layout() -> html.Div:
|
|
| 23 |
x=0.5,
|
| 24 |
y=0.5,
|
| 25 |
showarrow=False,
|
| 26 |
-
font=dict(
|
|
|
|
|
|
|
|
|
|
| 27 |
align="center",
|
| 28 |
)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 29 |
return html.Div(
|
| 30 |
-
|
| 31 |
-
|
| 32 |
-
|
| 33 |
-
|
| 34 |
-
|
| 35 |
-
|
| 36 |
-
|
| 37 |
-
|
| 38 |
-
|
| 39 |
-
|
| 40 |
-
|
| 41 |
-
|
| 42 |
-
|
| 43 |
-
|
| 44 |
-
|
| 45 |
-
|
| 46 |
-
|
| 47 |
-
|
| 48 |
-
|
| 49 |
-
|
| 50 |
-
|
| 51 |
-
|
| 52 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 53 |
},
|
| 54 |
-
|
| 55 |
-
|
| 56 |
-
|
| 57 |
-
|
| 58 |
-
|
| 59 |
-
|
| 60 |
-
|
| 61 |
-
|
| 62 |
-
|
| 63 |
-
|
| 64 |
-
|
| 65 |
-
|
| 66 |
-
|
| 67 |
-
|
| 68 |
-
|
| 69 |
-
|
| 70 |
-
|
| 71 |
-
|
| 72 |
-
|
| 73 |
-
|
| 74 |
-
|
| 75 |
-
|
| 76 |
-
|
| 77 |
-
|
| 78 |
-
|
| 79 |
-
|
| 80 |
-
value=polymers[25], # default selection (optional)
|
| 81 |
-
clearable=False,
|
| 82 |
-
style={"width": "100%"}
|
| 83 |
-
),
|
| 84 |
-
html.Div("Tg (°C)", style={"marginTop": "10px"}),
|
| 85 |
-
dcc.Input(
|
| 86 |
-
id="tg",
|
| 87 |
-
type="number",
|
| 88 |
-
placeholder="0.0",
|
| 89 |
-
value="0.0",
|
| 90 |
-
style={"width": "100%"},
|
| 91 |
-
required=True,
|
| 92 |
-
),
|
| 93 |
-
html.Div(
|
| 94 |
-
"Crystallinity (%)",
|
| 95 |
-
style={"marginTop": "10px"},
|
| 96 |
-
),
|
| 97 |
-
dcc.Input(
|
| 98 |
-
id="crystal",
|
| 99 |
-
type="number",
|
| 100 |
-
placeholder="0.0",
|
| 101 |
-
value="0.0",
|
| 102 |
-
style={"width": "100%"},
|
| 103 |
-
required=True,
|
| 104 |
-
),
|
| 105 |
-
]
|
| 106 |
-
),
|
| 107 |
-
# Right column
|
| 108 |
-
html.Div(
|
| 109 |
-
children=[
|
| 110 |
-
html.Div("Density (g/cm³)"),
|
| 111 |
-
dcc.Input(
|
| 112 |
-
id="density",
|
| 113 |
-
type="number",
|
| 114 |
-
placeholder="1.0",
|
| 115 |
-
value="1.0",
|
| 116 |
-
style={"width": "100%"},
|
| 117 |
-
required=True,
|
| 118 |
-
),
|
| 119 |
-
html.Div(
|
| 120 |
-
"Volume (cm³)",
|
| 121 |
-
style={"marginTop": "10px"},
|
| 122 |
-
),
|
| 123 |
-
dcc.Input(
|
| 124 |
-
id="polymer_volume",
|
| 125 |
-
type="number",
|
| 126 |
-
placeholder="1.0",
|
| 127 |
-
value="1.0",
|
| 128 |
-
style={"width": "100%"},
|
| 129 |
-
required=True,
|
| 130 |
-
),
|
| 131 |
-
html.Div(
|
| 132 |
-
"Surface area (cm²)",
|
| 133 |
-
style={"marginTop": "10px"},
|
| 134 |
-
),
|
| 135 |
-
dcc.Input(
|
| 136 |
-
id="surface_area",
|
| 137 |
-
type="number",
|
| 138 |
-
placeholder="30.0",
|
| 139 |
-
value="30.0",
|
| 140 |
-
style={"width": "100%"},
|
| 141 |
-
required=True,
|
| 142 |
-
),
|
| 143 |
-
]
|
| 144 |
),
|
| 145 |
-
]
|
| 146 |
),
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 147 |
|
| 148 |
-
|
| 149 |
-
|
| 150 |
-
|
| 151 |
-
|
| 152 |
-
|
| 153 |
-
|
| 154 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 155 |
},
|
| 156 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 157 |
|
| 158 |
-
|
| 159 |
-
|
| 160 |
-
|
| 161 |
-
|
| 162 |
-
|
| 163 |
-
|
| 164 |
-
|
| 165 |
-
inline=True,
|
| 166 |
-
labelStyle={"marginRight": "15px"},
|
| 167 |
-
),
|
| 168 |
|
| 169 |
-
|
| 170 |
-
|
| 171 |
-
|
| 172 |
-
|
| 173 |
-
|
| 174 |
-
|
| 175 |
-
|
| 176 |
-
|
| 177 |
-
|
| 178 |
-
|
| 179 |
-
|
| 180 |
-
|
| 181 |
-
|
| 182 |
-
|
| 183 |
-
|
| 184 |
-
|
| 185 |
-
|
| 186 |
-
|
| 187 |
-
|
| 188 |
-
|
| 189 |
-
|
| 190 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 191 |
|
| 192 |
-
|
| 193 |
-
|
| 194 |
-
|
| 195 |
-
|
| 196 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 197 |
},
|
| 198 |
-
|
| 199 |
-
|
| 200 |
-
|
| 201 |
-
style={
|
| 202 |
-
"marginTop": "6px",
|
| 203 |
-
"fontSize": "13px",
|
| 204 |
-
"color": "firebrick",
|
| 205 |
-
"fontWeight": "bold",
|
| 206 |
},
|
| 207 |
-
|
| 208 |
-
|
| 209 |
-
|
| 210 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 211 |
|
| 212 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 213 |
|
| 214 |
-
# Conditions row
|
| 215 |
-
html.Div(
|
| 216 |
-
style={
|
| 217 |
-
"display": "grid",
|
| 218 |
-
"gridTemplateColumns": "1fr 1fr",
|
| 219 |
-
"columnGap": "30px",
|
| 220 |
-
},
|
| 221 |
-
children=[
|
| 222 |
-
# Condition 1
|
| 223 |
-
html.Div(
|
| 224 |
-
children=[
|
| 225 |
-
html.H3(
|
| 226 |
-
"Condition #1",
|
| 227 |
-
style={
|
| 228 |
-
"textDecoration": "underline",
|
| 229 |
-
"fontSize": "18px",
|
| 230 |
-
"marginBottom": "10px",
|
| 231 |
-
},
|
| 232 |
-
),
|
| 233 |
-
html.Div(
|
| 234 |
-
[
|
| 235 |
-
html.Div(
|
| 236 |
-
dcc.RadioItems(
|
| 237 |
-
id="condition1_mode",
|
| 238 |
-
options=[
|
| 239 |
-
{
|
| 240 |
-
"label": "In vitro",
|
| 241 |
-
"value": "in_vitro",
|
| 242 |
-
},
|
| 243 |
-
{
|
| 244 |
-
"label": "In vivo (conservative)",
|
| 245 |
-
"value": "in_vivo_conservative",
|
| 246 |
-
},
|
| 247 |
-
{
|
| 248 |
-
"label": "In vivo (tissue)",
|
| 249 |
-
"value": "in_vivo_tissue",
|
| 250 |
-
},
|
| 251 |
-
],
|
| 252 |
-
value="in_vitro",
|
| 253 |
-
labelStyle={
|
| 254 |
-
"display": "inline-block"
|
| 255 |
-
},
|
| 256 |
-
),
|
| 257 |
-
style={"marginBottom": "10px"},
|
| 258 |
-
),
|
| 259 |
-
],
|
| 260 |
-
),
|
| 261 |
-
html.Div("Solvent"),
|
| 262 |
-
dcc.Dropdown(
|
| 263 |
-
id="c1_solvent",
|
| 264 |
-
options=[{"label": x, "value": x} for x in solvents],
|
| 265 |
-
value=solvents[9], # default selection (optional)
|
| 266 |
-
clearable=False,
|
| 267 |
-
placeholder="",
|
| 268 |
-
disabled=True,
|
| 269 |
-
style={"width": "100%"}
|
| 270 |
-
),
|
| 271 |
-
html.Div(
|
| 272 |
-
"Volume (cm³)",
|
| 273 |
-
style={"marginTop": "10px"},
|
| 274 |
-
),
|
| 275 |
-
dcc.Input(
|
| 276 |
-
id="c1_volume",
|
| 277 |
-
type="number",
|
| 278 |
-
placeholder="10.0",
|
| 279 |
-
value="10.0",
|
| 280 |
-
style={"width": "100%"},
|
| 281 |
-
disabled=True,
|
| 282 |
-
required=True,
|
| 283 |
-
),
|
| 284 |
-
html.Div(
|
| 285 |
-
"Swelling ratio (m/m)",
|
| 286 |
-
style={"marginTop": "10px"},
|
| 287 |
-
),
|
| 288 |
-
dcc.Input(
|
| 289 |
-
id="c1_swelling",
|
| 290 |
-
type="number",
|
| 291 |
-
placeholder="1.0",
|
| 292 |
-
value="1.0",
|
| 293 |
-
style={"width": "100%"},
|
| 294 |
-
disabled=True,
|
| 295 |
-
required=True,
|
| 296 |
-
),
|
| 297 |
-
html.Div(
|
| 298 |
-
"Extraction T (°C)",
|
| 299 |
-
style={"marginTop": "10px"},
|
| 300 |
-
),
|
| 301 |
-
dcc.Input(
|
| 302 |
-
id="c1_temp",
|
| 303 |
-
type="number",
|
| 304 |
-
placeholder="50.0",
|
| 305 |
-
value="50.0",
|
| 306 |
-
style={"width": "100%"},
|
| 307 |
-
disabled=True,
|
| 308 |
-
required=True,
|
| 309 |
-
),
|
| 310 |
-
html.Div(
|
| 311 |
-
"Extraction time (h)",
|
| 312 |
-
style={"marginTop": "10px"},
|
| 313 |
-
),
|
| 314 |
-
dcc.Input(
|
| 315 |
-
id="c1_time",
|
| 316 |
-
type="number",
|
| 317 |
-
placeholder="24.0",
|
| 318 |
-
value="24.0",
|
| 319 |
-
style={"width": "100%"},
|
| 320 |
-
#disabled=True,
|
| 321 |
-
required=True,
|
| 322 |
-
),
|
| 323 |
-
html.Div(
|
| 324 |
-
"# of iterations",
|
| 325 |
-
style={"marginTop": "10px"},
|
| 326 |
-
),
|
| 327 |
-
dcc.Input(
|
| 328 |
-
id="c1_iterations",
|
| 329 |
-
type="number",
|
| 330 |
-
placeholder="1",
|
| 331 |
-
value="1",
|
| 332 |
-
style={"width": "100%"},
|
| 333 |
-
disabled=True,
|
| 334 |
-
required=True,
|
| 335 |
-
),
|
| 336 |
-
]
|
| 337 |
-
),
|
| 338 |
-
# Condition 2
|
| 339 |
-
html.Div(
|
| 340 |
-
children=[
|
| 341 |
-
html.H3(
|
| 342 |
-
"Condition #2",
|
| 343 |
-
style={
|
| 344 |
-
"textDecoration": "underline",
|
| 345 |
-
"fontSize": "18px",
|
| 346 |
-
"marginBottom": "10px",
|
| 347 |
-
},
|
| 348 |
-
),
|
| 349 |
-
html.Div(
|
| 350 |
-
[
|
| 351 |
-
html.Div(
|
| 352 |
-
dcc.RadioItems(
|
| 353 |
-
id="condition2_mode",
|
| 354 |
-
options=[
|
| 355 |
-
{
|
| 356 |
-
"label": "In vitro",
|
| 357 |
-
"value": "in_vitro",
|
| 358 |
-
},
|
| 359 |
-
{
|
| 360 |
-
"label": "In vivo (conservative)",
|
| 361 |
-
"value": "in_vivo_conservative",
|
| 362 |
-
},
|
| 363 |
-
{
|
| 364 |
-
"label": "In vivo (tissue)",
|
| 365 |
-
"value": "in_vivo_tissue",
|
| 366 |
-
},
|
| 367 |
-
],
|
| 368 |
-
value="in_vivo_conservative",
|
| 369 |
-
labelStyle={
|
| 370 |
-
"display": "inline-block"
|
| 371 |
-
},
|
| 372 |
-
),
|
| 373 |
-
style={"marginBottom": "10px"},
|
| 374 |
-
),
|
| 375 |
-
],
|
| 376 |
-
),
|
| 377 |
-
html.Div("Solvent"),
|
| 378 |
-
dcc.Dropdown(
|
| 379 |
-
id="c2_solvent",
|
| 380 |
-
options=[{"label": x, "value": x} for x in solvents],
|
| 381 |
-
value=solvents[2], # default selection (optional)
|
| 382 |
-
clearable=False,
|
| 383 |
-
placeholder="",
|
| 384 |
-
disabled=True,
|
| 385 |
-
style={"width": "100%"}
|
| 386 |
-
),
|
| 387 |
-
html.Div(
|
| 388 |
-
"Volume (cm³)",
|
| 389 |
-
style={"marginTop": "10px"},
|
| 390 |
-
),
|
| 391 |
-
dcc.Input(
|
| 392 |
-
id="c2_volume",
|
| 393 |
-
type="number",
|
| 394 |
-
placeholder="10.0",
|
| 395 |
-
value="10.0",
|
| 396 |
-
style={"width": "100%"},
|
| 397 |
-
disabled=True,
|
| 398 |
-
required=True,
|
| 399 |
-
),
|
| 400 |
-
html.Div(
|
| 401 |
-
"Swelling ratio (m/m)",
|
| 402 |
-
style={"marginTop": "10px"},
|
| 403 |
-
),
|
| 404 |
-
dcc.Input(
|
| 405 |
-
id="c2_swelling",
|
| 406 |
-
type="number",
|
| 407 |
-
placeholder="1.0",
|
| 408 |
-
value="1.0",
|
| 409 |
-
style={"width": "100%"},
|
| 410 |
-
disabled=True,
|
| 411 |
-
required=True,
|
| 412 |
-
),
|
| 413 |
-
html.Div(
|
| 414 |
-
"Extraction T (°C)",
|
| 415 |
-
style={"marginTop": "10px"},
|
| 416 |
-
),
|
| 417 |
-
dcc.Input(
|
| 418 |
-
id="c2_temp",
|
| 419 |
-
type="number",
|
| 420 |
-
placeholder="50.0",
|
| 421 |
-
value="50.0",
|
| 422 |
-
style={"width": "100%"},
|
| 423 |
-
disabled=True,
|
| 424 |
-
required=True,
|
| 425 |
-
),
|
| 426 |
-
html.Div(
|
| 427 |
-
"Extraction time (h)",
|
| 428 |
-
style={"marginTop": "10px"},
|
| 429 |
-
),
|
| 430 |
-
dcc.Input(
|
| 431 |
-
id="c2_time",
|
| 432 |
-
type="number",
|
| 433 |
-
placeholder="24.0",
|
| 434 |
-
value="24.0",
|
| 435 |
-
style={"width": "100%"},
|
| 436 |
-
#disabled=True,
|
| 437 |
-
required=True,
|
| 438 |
-
),
|
| 439 |
-
html.Div(
|
| 440 |
-
"# of iterations",
|
| 441 |
-
style={"marginTop": "10px"},
|
| 442 |
-
),
|
| 443 |
-
dcc.Input(
|
| 444 |
-
id="c2_iterations",
|
| 445 |
-
type="number",
|
| 446 |
-
placeholder="1",
|
| 447 |
-
value="1",
|
| 448 |
-
style={"width": "100%"},
|
| 449 |
-
disabled=True,
|
| 450 |
-
required=True,
|
| 451 |
-
),
|
| 452 |
-
]
|
| 453 |
-
),
|
| 454 |
-
],
|
| 455 |
-
),
|
| 456 |
|
| 457 |
-
|
| 458 |
-
|
| 459 |
-
|
| 460 |
-
style={
|
| 461 |
-
"marginTop": "10px",
|
| 462 |
-
},
|
| 463 |
-
children=[
|
| 464 |
-
html.H3(
|
| 465 |
-
"Monte Carlo",
|
| 466 |
-
style={
|
| 467 |
-
"textDecoration": "underline",
|
| 468 |
-
"fontSize": "18px",
|
| 469 |
-
"marginBottom": "15px",
|
| 470 |
-
},
|
| 471 |
-
),
|
| 472 |
|
| 473 |
-
|
| 474 |
-
html.Div(
|
| 475 |
-
style={
|
| 476 |
-
"display": "grid",
|
| 477 |
-
"gridTemplateColumns": "1fr 1fr",
|
| 478 |
-
"columnGap": "20px",
|
| 479 |
-
"alignItems": "end",
|
| 480 |
-
},
|
| 481 |
-
children=[
|
| 482 |
-
# Samples
|
| 483 |
-
html.Div(
|
| 484 |
-
children=[
|
| 485 |
-
html.Div("Samples"),
|
| 486 |
-
dcc.Input(
|
| 487 |
-
id="samples",
|
| 488 |
-
type="number",
|
| 489 |
-
placeholder="1000",
|
| 490 |
-
value="1000",
|
| 491 |
-
required=True,
|
| 492 |
-
style={"width": "100%"},
|
| 493 |
-
),
|
| 494 |
-
],
|
| 495 |
-
),
|
| 496 |
-
|
| 497 |
-
# Radio buttons
|
| 498 |
-
html.Div(
|
| 499 |
-
children=[
|
| 500 |
-
html.Div("Comparison quantity"),
|
| 501 |
-
dcc.RadioItems(
|
| 502 |
-
id="mc_option",
|
| 503 |
-
options=[
|
| 504 |
-
{"label": "absolute", "value": "absolute"},
|
| 505 |
-
{"label": "ratio", "value": "ratio"},
|
| 506 |
-
],
|
| 507 |
-
value="absolute",
|
| 508 |
-
inline=True,
|
| 509 |
-
labelStyle={
|
| 510 |
-
"marginRight": "15px",
|
| 511 |
-
},
|
| 512 |
-
),
|
| 513 |
-
],
|
| 514 |
-
),
|
| 515 |
-
],
|
| 516 |
-
),
|
| 517 |
|
| 518 |
-
|
| 519 |
-
|
| 520 |
-
|
| 521 |
-
|
| 522 |
-
|
| 523 |
-
|
| 524 |
-
|
| 525 |
-
|
| 526 |
-
|
| 527 |
-
|
| 528 |
-
|
| 529 |
-
|
| 530 |
-
|
| 531 |
-
|
| 532 |
-
|
| 533 |
-
|
| 534 |
-
|
| 535 |
-
|
| 536 |
-
|
| 537 |
-
|
| 538 |
-
|
| 539 |
-
|
| 540 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 541 |
],
|
|
|
|
|
|
|
|
|
|
| 542 |
),
|
| 543 |
|
| 544 |
-
|
| 545 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
| 546 |
style={
|
| 547 |
-
"
|
| 548 |
-
"
|
| 549 |
-
"flexDirection": "column", # <-- key change
|
| 550 |
-
"justifyContent": "center",
|
| 551 |
},
|
| 552 |
-
|
| 553 |
-
|
| 554 |
-
|
| 555 |
-
|
| 556 |
-
|
| 557 |
-
|
| 558 |
-
|
| 559 |
-
|
| 560 |
-
|
| 561 |
-
|
| 562 |
-
|
| 563 |
-
|
| 564 |
-
|
| 565 |
-
|
| 566 |
-
|
| 567 |
-
|
| 568 |
-
|
| 569 |
-
|
| 570 |
-
|
| 571 |
-
|
| 572 |
-
|
| 573 |
-
|
| 574 |
-
|
| 575 |
-
),
|
| 576 |
-
children=dcc.Graph(
|
| 577 |
-
id="mm0_chart",
|
| 578 |
-
figure=placeholder_fig,
|
| 579 |
-
config={"displayModeBar": False},
|
| 580 |
-
# Graph fills the 600x800 parent
|
| 581 |
-
style={
|
| 582 |
-
"width": "800px",
|
| 583 |
-
"height": "600px",
|
| 584 |
-
},
|
| 585 |
-
),
|
| 586 |
-
),
|
| 587 |
-
html.Div(
|
| 588 |
-
html.P(
|
| 589 |
-
[
|
| 590 |
-
"This tool provides an interface to physics-based models that can assist in selecting extraction conditions. ",
|
| 591 |
-
"It enables comparison of predicted fractional release across in vitro and in vivo scenarios. ",
|
| 592 |
-
"For additional information, please refer to the ",
|
| 593 |
-
dcc.Link("quick start guide", href="/instructions"),
|
| 594 |
-
# ", and for reference and disclaimer information, please see the ",
|
| 595 |
-
# dcc.Link("RST information page", href="/rst"),
|
| 596 |
-
".",
|
| 597 |
-
],
|
| 598 |
-
style={
|
| 599 |
-
"maxWidth": "800px",
|
| 600 |
-
"margin": "1.25rem auto 2rem auto",
|
| 601 |
-
"lineHeight": "1.4",
|
| 602 |
-
"color": "#555",
|
| 603 |
-
}
|
| 604 |
-
),
|
| 605 |
-
style={"width": "800px"},
|
| 606 |
),
|
|
|
|
|
|
|
| 607 |
],
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 608 |
),
|
| 609 |
-
|
| 610 |
-
|
| 611 |
-
|
| 612 |
-
)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
from dash import html, dcc
|
| 2 |
import dash_bootstrap_components as dbc
|
| 3 |
+
import pandas as pd
|
| 4 |
+
import numpy as np
|
| 5 |
+
|
| 6 |
from data.functions import *
|
| 7 |
from figure import build_figure
|
| 8 |
|
| 9 |
+
|
| 10 |
+
# ============================================================
|
| 11 |
+
# Shared styles
|
| 12 |
+
# ============================================================
|
| 13 |
+
|
| 14 |
+
PAGE_STYLE = {
|
| 15 |
+
"fontFamily": "Arial, Helvetica, sans-serif",
|
| 16 |
+
"padding": "15px",
|
| 17 |
+
}
|
| 18 |
+
|
| 19 |
+
TITLE_STYLE = {
|
| 20 |
+
"textAlign": "center",
|
| 21 |
+
"marginBottom": "10px",
|
| 22 |
+
"fontSize": "36px",
|
| 23 |
+
}
|
| 24 |
+
|
| 25 |
+
SECTION_HEADER_STYLE = {
|
| 26 |
+
"textDecoration": "underline",
|
| 27 |
+
"fontSize": "18px",
|
| 28 |
+
"marginBottom": "10px",
|
| 29 |
+
}
|
| 30 |
+
|
| 31 |
+
MONTE_CARLO_HEADER_STYLE = {
|
| 32 |
+
**SECTION_HEADER_STYLE,
|
| 33 |
+
"marginBottom": "15px",
|
| 34 |
+
}
|
| 35 |
+
|
| 36 |
+
FULL_WIDTH_STYLE = {
|
| 37 |
+
"width": "100%",
|
| 38 |
+
}
|
| 39 |
+
|
| 40 |
+
FIELD_LABEL_STYLE = {
|
| 41 |
+
"marginTop": "10px",
|
| 42 |
+
}
|
| 43 |
+
|
| 44 |
+
TWO_COLUMN_GRID_STYLE = {
|
| 45 |
+
"display": "grid",
|
| 46 |
+
"gridTemplateColumns": "1fr 1fr",
|
| 47 |
+
"columnGap": "20px",
|
| 48 |
+
}
|
| 49 |
+
|
| 50 |
+
CONDITIONS_GRID_STYLE = {
|
| 51 |
+
"display": "grid",
|
| 52 |
+
"gridTemplateColumns": "1fr 1fr",
|
| 53 |
+
"columnGap": "30px",
|
| 54 |
+
}
|
| 55 |
+
|
| 56 |
+
|
| 57 |
+
# ============================================================
|
| 58 |
+
# Small reusable layout helpers
|
| 59 |
+
# ============================================================
|
| 60 |
+
|
| 61 |
+
def section_header(text):
|
| 62 |
+
"""Standard underlined section heading."""
|
| 63 |
+
return html.H3(
|
| 64 |
+
text,
|
| 65 |
+
style=SECTION_HEADER_STYLE,
|
| 66 |
+
)
|
| 67 |
+
|
| 68 |
+
|
| 69 |
+
def field_label(text, first=False):
|
| 70 |
+
"""Standard input label."""
|
| 71 |
+
if first:
|
| 72 |
+
return html.Div(text)
|
| 73 |
+
|
| 74 |
+
return html.Div(
|
| 75 |
+
text,
|
| 76 |
+
style=FIELD_LABEL_STYLE,
|
| 77 |
+
)
|
| 78 |
+
|
| 79 |
+
|
| 80 |
+
def numeric_input(
|
| 81 |
+
component_id,
|
| 82 |
+
value,
|
| 83 |
+
placeholder=None,
|
| 84 |
+
disabled=False,
|
| 85 |
+
):
|
| 86 |
+
"""Standard full-width numeric input."""
|
| 87 |
+
|
| 88 |
+
if placeholder is None:
|
| 89 |
+
placeholder = str(value)
|
| 90 |
+
|
| 91 |
+
return dcc.Input(
|
| 92 |
+
id=component_id,
|
| 93 |
+
type="number",
|
| 94 |
+
placeholder=placeholder,
|
| 95 |
+
value=value,
|
| 96 |
+
style=FULL_WIDTH_STYLE,
|
| 97 |
+
disabled=disabled,
|
| 98 |
+
required=True,
|
| 99 |
+
)
|
| 100 |
+
|
| 101 |
+
|
| 102 |
+
# ============================================================
|
| 103 |
+
# Placeholder figure
|
| 104 |
+
# ============================================================
|
| 105 |
+
|
| 106 |
+
def build_placeholder_figure():
|
| 107 |
+
|
| 108 |
n = len(soluteData)
|
| 109 |
+
|
| 110 |
+
df0 = pd.DataFrame(
|
| 111 |
+
{
|
| 112 |
+
"CASRN": soluteData["CASRN"].to_numpy(),
|
| 113 |
+
"Condition 1": np.zeros(n),
|
| 114 |
+
"Cond1_err_plus": np.zeros(n),
|
| 115 |
+
"Cond1_err_minus": np.zeros(n),
|
| 116 |
+
"Condition 2": np.zeros(n),
|
| 117 |
+
"Cond2_err_plus": np.zeros(n),
|
| 118 |
+
"Cond2_err_minus": np.zeros(n),
|
| 119 |
+
}
|
| 120 |
+
)
|
| 121 |
+
|
| 122 |
placeholder_fig = build_figure(df0)
|
| 123 |
+
|
| 124 |
+
placeholder_fig.update_yaxes(
|
| 125 |
+
range=[-2, 0]
|
| 126 |
+
)
|
| 127 |
+
|
| 128 |
placeholder_fig.add_annotation(
|
| 129 |
text="Click 'Calculate' to run model",
|
| 130 |
xref="paper",
|
|
|
|
| 132 |
x=0.5,
|
| 133 |
y=0.5,
|
| 134 |
showarrow=False,
|
| 135 |
+
font=dict(
|
| 136 |
+
size=22,
|
| 137 |
+
color="gray",
|
| 138 |
+
),
|
| 139 |
align="center",
|
| 140 |
)
|
| 141 |
+
|
| 142 |
+
return placeholder_fig
|
| 143 |
+
|
| 144 |
+
|
| 145 |
+
# ============================================================
|
| 146 |
+
# Polymer section
|
| 147 |
+
# ============================================================
|
| 148 |
+
|
| 149 |
+
def build_polymer_section():
|
| 150 |
+
|
| 151 |
return html.Div(
|
| 152 |
+
children=[
|
| 153 |
+
section_header("Polymer component"),
|
| 154 |
+
|
| 155 |
+
html.Div(
|
| 156 |
+
style={
|
| 157 |
+
**TWO_COLUMN_GRID_STYLE,
|
| 158 |
+
"rowGap": "10px",
|
| 159 |
+
"marginBottom": "10px",
|
| 160 |
+
},
|
| 161 |
+
children=[
|
| 162 |
+
|
| 163 |
+
# ------------------------------------------------
|
| 164 |
+
# Left column
|
| 165 |
+
# ------------------------------------------------
|
| 166 |
+
html.Div(
|
| 167 |
+
children=[
|
| 168 |
+
field_label("Matrix", first=True),
|
| 169 |
+
|
| 170 |
+
dcc.Dropdown(
|
| 171 |
+
id="matrix",
|
| 172 |
+
options=[
|
| 173 |
+
{"label": x, "value": x}
|
| 174 |
+
for x in polymers
|
| 175 |
+
],
|
| 176 |
+
value=polymers[25],
|
| 177 |
+
clearable=False,
|
| 178 |
+
style=FULL_WIDTH_STYLE,
|
| 179 |
+
),
|
| 180 |
+
|
| 181 |
+
field_label("Tg (°C)"),
|
| 182 |
+
|
| 183 |
+
numeric_input(
|
| 184 |
+
component_id="tg",
|
| 185 |
+
value="0.0",
|
| 186 |
+
placeholder="0.0",
|
| 187 |
+
),
|
| 188 |
+
|
| 189 |
+
field_label("Crystallinity (%)"),
|
| 190 |
+
|
| 191 |
+
numeric_input(
|
| 192 |
+
component_id="crystal",
|
| 193 |
+
value="0.0",
|
| 194 |
+
placeholder="0.0",
|
| 195 |
+
),
|
| 196 |
+
]
|
| 197 |
+
),
|
| 198 |
+
|
| 199 |
+
# ------------------------------------------------
|
| 200 |
+
# Right column
|
| 201 |
+
# ------------------------------------------------
|
| 202 |
+
html.Div(
|
| 203 |
+
children=[
|
| 204 |
+
field_label(
|
| 205 |
+
"Density (g/cm³)",
|
| 206 |
+
first=True,
|
| 207 |
+
),
|
| 208 |
+
|
| 209 |
+
numeric_input(
|
| 210 |
+
component_id="density",
|
| 211 |
+
value="1.0",
|
| 212 |
+
placeholder="1.0",
|
| 213 |
+
),
|
| 214 |
+
|
| 215 |
+
field_label("Volume (cm³)"),
|
| 216 |
+
|
| 217 |
+
numeric_input(
|
| 218 |
+
component_id="polymer_volume",
|
| 219 |
+
value="1.0",
|
| 220 |
+
placeholder="1.0",
|
| 221 |
+
),
|
| 222 |
+
|
| 223 |
+
field_label("Surface area (cm²)"),
|
| 224 |
+
|
| 225 |
+
numeric_input(
|
| 226 |
+
component_id="surface_area",
|
| 227 |
+
value="30.0",
|
| 228 |
+
placeholder="30.0",
|
| 229 |
+
),
|
| 230 |
+
]
|
| 231 |
+
),
|
| 232 |
+
],
|
| 233 |
+
),
|
| 234 |
+
]
|
| 235 |
+
)
|
| 236 |
+
|
| 237 |
+
|
| 238 |
+
# ============================================================
|
| 239 |
+
# Solute section
|
| 240 |
+
# ============================================================
|
| 241 |
+
|
| 242 |
+
def build_solute_section():
|
| 243 |
+
|
| 244 |
+
return html.Div(
|
| 245 |
+
children=[
|
| 246 |
+
section_header("Solutes"),
|
| 247 |
+
|
| 248 |
+
dcc.RadioItems(
|
| 249 |
+
id="solute_source",
|
| 250 |
+
options=[
|
| 251 |
+
{
|
| 252 |
+
"label": "Default boundary chemicals",
|
| 253 |
+
"value": "default",
|
| 254 |
},
|
| 255 |
+
{
|
| 256 |
+
"label": "User-defined chemicals",
|
| 257 |
+
"value": "upload",
|
| 258 |
+
},
|
| 259 |
+
],
|
| 260 |
+
value="default",
|
| 261 |
+
inline=True,
|
| 262 |
+
labelStyle={
|
| 263 |
+
"marginRight": "15px",
|
| 264 |
+
},
|
| 265 |
+
),
|
| 266 |
+
|
| 267 |
+
# ----------------------------------------------------
|
| 268 |
+
# Upload controls
|
| 269 |
+
# Hidden unless "User-defined chemicals" is selected
|
| 270 |
+
# ----------------------------------------------------
|
| 271 |
+
html.Div(
|
| 272 |
+
id="solute_upload_container",
|
| 273 |
+
children=[
|
| 274 |
+
dcc.Upload(
|
| 275 |
+
id="solute_upload",
|
| 276 |
+
children=html.Div(
|
| 277 |
+
[
|
| 278 |
+
"Drag and drop or ",
|
| 279 |
+
html.A(
|
| 280 |
+
"select an Excel file"
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 281 |
),
|
| 282 |
+
]
|
| 283 |
),
|
| 284 |
+
accept=".xlsx,.xls",
|
| 285 |
+
multiple=False,
|
| 286 |
+
style={
|
| 287 |
+
"width": "100%",
|
| 288 |
+
"height": "55px",
|
| 289 |
+
"lineHeight": "55px",
|
| 290 |
+
"borderWidth": "1px",
|
| 291 |
+
"borderStyle": "dashed",
|
| 292 |
+
"borderRadius": "4px",
|
| 293 |
+
"textAlign": "center",
|
| 294 |
+
"marginTop": "10px",
|
| 295 |
+
},
|
| 296 |
+
),
|
| 297 |
|
| 298 |
+
# File-read / validation message
|
| 299 |
+
html.Div(
|
| 300 |
+
id="solute_upload_status",
|
| 301 |
+
style={
|
| 302 |
+
"marginTop": "5px",
|
| 303 |
+
"fontSize": "13px",
|
| 304 |
+
},
|
| 305 |
+
),
|
| 306 |
+
|
| 307 |
+
# Calculate-button warning
|
| 308 |
+
html.Div(
|
| 309 |
+
id="solute_calculate_warning",
|
| 310 |
+
style={
|
| 311 |
+
"marginTop": "6px",
|
| 312 |
+
"fontSize": "13px",
|
| 313 |
+
"color": "firebrick",
|
| 314 |
+
"fontWeight": "bold",
|
| 315 |
+
},
|
| 316 |
+
),
|
| 317 |
+
],
|
| 318 |
+
style={
|
| 319 |
+
"display": "none",
|
| 320 |
+
},
|
| 321 |
+
),
|
| 322 |
+
|
| 323 |
+
# Stores validated uploaded solute records
|
| 324 |
+
dcc.Store(
|
| 325 |
+
id="uploaded_solute_data"
|
| 326 |
+
),
|
| 327 |
+
],
|
| 328 |
+
)
|
| 329 |
+
|
| 330 |
+
|
| 331 |
+
# ============================================================
|
| 332 |
+
# Condition controls
|
| 333 |
+
# ============================================================
|
| 334 |
+
|
| 335 |
+
def build_condition_column(
|
| 336 |
+
number,
|
| 337 |
+
default_mode,
|
| 338 |
+
default_solvent,
|
| 339 |
+
):
|
| 340 |
+
"""
|
| 341 |
+
Build either Condition #1 or Condition #2.
|
| 342 |
+
|
| 343 |
+
IDs are generated automatically:
|
| 344 |
+
c1_solvent, c1_volume, ...
|
| 345 |
+
c2_solvent, c2_volume, ...
|
| 346 |
+
"""
|
| 347 |
+
|
| 348 |
+
prefix = f"c{number}"
|
| 349 |
+
|
| 350 |
+
return html.Div(
|
| 351 |
+
children=[
|
| 352 |
+
html.H3(
|
| 353 |
+
f"Condition #{number}",
|
| 354 |
+
style=SECTION_HEADER_STYLE,
|
| 355 |
+
),
|
| 356 |
+
|
| 357 |
+
# ----------------------------------------------------
|
| 358 |
+
# Condition mode
|
| 359 |
+
# ----------------------------------------------------
|
| 360 |
+
html.Div(
|
| 361 |
+
style={
|
| 362 |
+
"marginBottom": "10px",
|
| 363 |
+
},
|
| 364 |
+
children=[
|
| 365 |
+
dcc.RadioItems(
|
| 366 |
+
id=f"condition{number}_mode",
|
| 367 |
+
options=[
|
| 368 |
+
{
|
| 369 |
+
"label": "In vitro",
|
| 370 |
+
"value": "in_vitro",
|
| 371 |
},
|
| 372 |
+
{
|
| 373 |
+
"label": "In vivo (conservative)",
|
| 374 |
+
"value": "in_vivo_conservative",
|
| 375 |
+
},
|
| 376 |
+
{
|
| 377 |
+
"label": "In vivo (tissue)",
|
| 378 |
+
"value": "in_vivo_tissue",
|
| 379 |
+
},
|
| 380 |
+
],
|
| 381 |
+
value=default_mode,
|
| 382 |
+
labelStyle={
|
| 383 |
+
"display": "inline-block",
|
| 384 |
+
},
|
| 385 |
+
),
|
| 386 |
+
],
|
| 387 |
+
),
|
| 388 |
|
| 389 |
+
# ----------------------------------------------------
|
| 390 |
+
# Solvent
|
| 391 |
+
# ----------------------------------------------------
|
| 392 |
+
field_label(
|
| 393 |
+
"Solvent",
|
| 394 |
+
first=True,
|
| 395 |
+
),
|
|
|
|
|
|
|
|
|
|
| 396 |
|
| 397 |
+
dcc.Dropdown(
|
| 398 |
+
id=f"{prefix}_solvent",
|
| 399 |
+
options=[
|
| 400 |
+
{"label": x, "value": x}
|
| 401 |
+
for x in solvents
|
| 402 |
+
],
|
| 403 |
+
value=default_solvent,
|
| 404 |
+
clearable=False,
|
| 405 |
+
placeholder="",
|
| 406 |
+
disabled=True,
|
| 407 |
+
style=FULL_WIDTH_STYLE,
|
| 408 |
+
),
|
| 409 |
+
|
| 410 |
+
# ----------------------------------------------------
|
| 411 |
+
# Volume
|
| 412 |
+
# ----------------------------------------------------
|
| 413 |
+
field_label("Volume (cm³)"),
|
| 414 |
+
|
| 415 |
+
numeric_input(
|
| 416 |
+
component_id=f"{prefix}_volume",
|
| 417 |
+
value="10.0",
|
| 418 |
+
placeholder="10.0",
|
| 419 |
+
disabled=True,
|
| 420 |
+
),
|
| 421 |
+
|
| 422 |
+
# ----------------------------------------------------
|
| 423 |
+
# Swelling ratio
|
| 424 |
+
# ----------------------------------------------------
|
| 425 |
+
field_label("Swelling ratio (m/m)"),
|
| 426 |
+
|
| 427 |
+
numeric_input(
|
| 428 |
+
component_id=f"{prefix}_swelling",
|
| 429 |
+
value="1.0",
|
| 430 |
+
placeholder="1.0",
|
| 431 |
+
disabled=True,
|
| 432 |
+
),
|
| 433 |
+
|
| 434 |
+
# ----------------------------------------------------
|
| 435 |
+
# Extraction temperature
|
| 436 |
+
# ----------------------------------------------------
|
| 437 |
+
field_label("Extraction T (°C)"),
|
| 438 |
+
|
| 439 |
+
numeric_input(
|
| 440 |
+
component_id=f"{prefix}_temp",
|
| 441 |
+
value="50.0",
|
| 442 |
+
placeholder="50.0",
|
| 443 |
+
disabled=True,
|
| 444 |
+
),
|
| 445 |
+
|
| 446 |
+
# ----------------------------------------------------
|
| 447 |
+
# Extraction time
|
| 448 |
+
# ----------------------------------------------------
|
| 449 |
+
field_label("Extraction time (h)"),
|
| 450 |
+
|
| 451 |
+
numeric_input(
|
| 452 |
+
component_id=f"{prefix}_time",
|
| 453 |
+
value="24.0",
|
| 454 |
+
placeholder="24.0",
|
| 455 |
+
disabled=False,
|
| 456 |
+
),
|
| 457 |
+
|
| 458 |
+
# ----------------------------------------------------
|
| 459 |
+
# Number of iterations
|
| 460 |
+
# ----------------------------------------------------
|
| 461 |
+
field_label("# of iterations"),
|
| 462 |
+
|
| 463 |
+
numeric_input(
|
| 464 |
+
component_id=f"{prefix}_iterations",
|
| 465 |
+
value="1",
|
| 466 |
+
placeholder="1",
|
| 467 |
+
disabled=True,
|
| 468 |
+
),
|
| 469 |
+
]
|
| 470 |
+
)
|
| 471 |
+
|
| 472 |
+
|
| 473 |
+
def build_conditions_section():
|
| 474 |
+
|
| 475 |
+
return html.Div(
|
| 476 |
+
style=CONDITIONS_GRID_STYLE,
|
| 477 |
+
children=[
|
| 478 |
+
build_condition_column(
|
| 479 |
+
number=1,
|
| 480 |
+
default_mode="in_vitro",
|
| 481 |
+
default_solvent=solvents[9],
|
| 482 |
+
),
|
| 483 |
+
|
| 484 |
+
build_condition_column(
|
| 485 |
+
number=2,
|
| 486 |
+
default_mode="in_vivo_conservative",
|
| 487 |
+
default_solvent=solvents[2],
|
| 488 |
+
),
|
| 489 |
+
],
|
| 490 |
+
)
|
| 491 |
+
|
| 492 |
+
|
| 493 |
+
# ============================================================
|
| 494 |
+
# Monte Carlo section
|
| 495 |
+
# ============================================================
|
| 496 |
+
|
| 497 |
+
def build_monte_carlo_section():
|
| 498 |
|
| 499 |
+
return html.Div(
|
| 500 |
+
style={
|
| 501 |
+
"marginTop": "10px",
|
| 502 |
+
},
|
| 503 |
+
children=[
|
| 504 |
+
html.H3(
|
| 505 |
+
"Monte Carlo",
|
| 506 |
+
style=MONTE_CARLO_HEADER_STYLE,
|
| 507 |
+
),
|
| 508 |
+
|
| 509 |
+
# ----------------------------------------------------
|
| 510 |
+
# Samples + comparison mode
|
| 511 |
+
# ----------------------------------------------------
|
| 512 |
+
html.Div(
|
| 513 |
+
style={
|
| 514 |
+
**TWO_COLUMN_GRID_STYLE,
|
| 515 |
+
"alignItems": "end",
|
| 516 |
+
},
|
| 517 |
+
children=[
|
| 518 |
+
|
| 519 |
+
# Samples
|
| 520 |
+
html.Div(
|
| 521 |
+
children=[
|
| 522 |
+
html.Div("Samples"),
|
| 523 |
+
|
| 524 |
+
numeric_input(
|
| 525 |
+
component_id="samples",
|
| 526 |
+
value="1000",
|
| 527 |
+
placeholder="1000",
|
| 528 |
+
),
|
| 529 |
+
]
|
| 530 |
+
),
|
| 531 |
+
|
| 532 |
+
# Comparison quantity
|
| 533 |
+
html.Div(
|
| 534 |
+
children=[
|
| 535 |
+
html.Div(
|
| 536 |
+
"Comparison quantity"
|
| 537 |
+
),
|
| 538 |
+
|
| 539 |
+
dcc.RadioItems(
|
| 540 |
+
id="mc_option",
|
| 541 |
+
options=[
|
| 542 |
+
{
|
| 543 |
+
"label": "absolute",
|
| 544 |
+
"value": "absolute",
|
| 545 |
},
|
| 546 |
+
{
|
| 547 |
+
"label": "ratio",
|
| 548 |
+
"value": "ratio",
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 549 |
},
|
| 550 |
+
],
|
| 551 |
+
value="absolute",
|
| 552 |
+
inline=True,
|
| 553 |
+
labelStyle={
|
| 554 |
+
"marginRight": "15px",
|
| 555 |
+
},
|
| 556 |
+
),
|
| 557 |
+
]
|
| 558 |
+
),
|
| 559 |
+
],
|
| 560 |
+
),
|
| 561 |
|
| 562 |
+
# ----------------------------------------------------
|
| 563 |
+
# Calculate button
|
| 564 |
+
# ----------------------------------------------------
|
| 565 |
+
html.Div(
|
| 566 |
+
style={
|
| 567 |
+
"textAlign": "center",
|
| 568 |
+
"marginTop": "20px",
|
| 569 |
+
},
|
| 570 |
+
children=[
|
| 571 |
+
html.Button(
|
| 572 |
+
"Calculate",
|
| 573 |
+
id="calculate",
|
| 574 |
+
n_clicks=0,
|
| 575 |
+
style={
|
| 576 |
+
"padding": "8px 25px",
|
| 577 |
+
"border": "1px solid #333",
|
| 578 |
+
"borderRadius": "3px",
|
| 579 |
+
"backgroundColor": "white",
|
| 580 |
+
"cursor": "pointer",
|
| 581 |
+
},
|
| 582 |
+
)
|
| 583 |
+
],
|
| 584 |
+
),
|
| 585 |
+
],
|
| 586 |
+
)
|
| 587 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 588 |
|
| 589 |
+
# ============================================================
|
| 590 |
+
# Results / graph panel
|
| 591 |
+
# ============================================================
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 592 |
|
| 593 |
+
def build_results_panel(placeholder_fig):
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 594 |
|
| 595 |
+
return html.Div(
|
| 596 |
+
style={
|
| 597 |
+
"flex": "1",
|
| 598 |
+
"display": "flex",
|
| 599 |
+
"flexDirection": "column",
|
| 600 |
+
"justifyContent": "center",
|
| 601 |
+
},
|
| 602 |
+
children=[
|
| 603 |
+
|
| 604 |
+
# ----------------------------------------------------
|
| 605 |
+
# Plot + processing overlay
|
| 606 |
+
# ----------------------------------------------------
|
| 607 |
+
dcc.Loading(
|
| 608 |
+
id="mm0_loading",
|
| 609 |
+
type="default",
|
| 610 |
+
|
| 611 |
+
parent_style={
|
| 612 |
+
"position": "relative",
|
| 613 |
+
"width": "800px",
|
| 614 |
+
"height": "600px",
|
| 615 |
+
},
|
| 616 |
+
|
| 617 |
+
overlay_style={
|
| 618 |
+
"backgroundColor": "rgba(255, 255, 255, 0.5)",
|
| 619 |
+
"display": "flex",
|
| 620 |
+
"justifyContent": "center",
|
| 621 |
+
"alignItems": "center",
|
| 622 |
+
},
|
| 623 |
+
|
| 624 |
+
custom_spinner=html.Div(
|
| 625 |
+
[
|
| 626 |
+
html.H2("Processing"),
|
| 627 |
+
dbc.Spinner(
|
| 628 |
+
color="danger"
|
| 629 |
+
),
|
| 630 |
],
|
| 631 |
+
style={
|
| 632 |
+
"textAlign": "center",
|
| 633 |
+
},
|
| 634 |
),
|
| 635 |
|
| 636 |
+
children=dcc.Graph(
|
| 637 |
+
id="mm0_chart",
|
| 638 |
+
figure=placeholder_fig,
|
| 639 |
+
config={
|
| 640 |
+
"displayModeBar": False,
|
| 641 |
+
},
|
| 642 |
style={
|
| 643 |
+
"width": "800px",
|
| 644 |
+
"height": "600px",
|
|
|
|
|
|
|
| 645 |
},
|
| 646 |
+
),
|
| 647 |
+
),
|
| 648 |
+
|
| 649 |
+
# ----------------------------------------------------
|
| 650 |
+
# Footer / quick-start link
|
| 651 |
+
# ----------------------------------------------------
|
| 652 |
+
html.Div(
|
| 653 |
+
html.P(
|
| 654 |
+
[
|
| 655 |
+
"This tool provides an interface to "
|
| 656 |
+
"physics-based models that can assist "
|
| 657 |
+
"in selecting extraction conditions. ",
|
| 658 |
+
|
| 659 |
+
"It enables comparison of predicted "
|
| 660 |
+
"fractional release across in vitro "
|
| 661 |
+
"and in vivo scenarios. ",
|
| 662 |
+
|
| 663 |
+
"For additional information, please "
|
| 664 |
+
"refer to the ",
|
| 665 |
+
|
| 666 |
+
dcc.Link(
|
| 667 |
+
"quick start guide",
|
| 668 |
+
href="/instructions",
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 669 |
),
|
| 670 |
+
|
| 671 |
+
".",
|
| 672 |
],
|
| 673 |
+
style={
|
| 674 |
+
"maxWidth": "800px",
|
| 675 |
+
"margin": "1.25rem auto 2rem auto",
|
| 676 |
+
"lineHeight": "1.4",
|
| 677 |
+
"color": "#555",
|
| 678 |
+
},
|
| 679 |
),
|
| 680 |
+
style={
|
| 681 |
+
"width": "800px",
|
| 682 |
+
},
|
| 683 |
+
),
|
| 684 |
+
],
|
| 685 |
+
)
|
| 686 |
+
|
| 687 |
+
|
| 688 |
+
# ============================================================
|
| 689 |
+
# Left-side control panel
|
| 690 |
+
# ============================================================
|
| 691 |
+
|
| 692 |
+
def build_controls_panel():
|
| 693 |
+
|
| 694 |
+
return html.Div(
|
| 695 |
+
style={
|
| 696 |
+
"flex": "0 0 40%",
|
| 697 |
+
"maxWidth": "500px",
|
| 698 |
+
},
|
| 699 |
+
children=[
|
| 700 |
+
build_polymer_section(),
|
| 701 |
+
build_solute_section(),
|
| 702 |
+
build_conditions_section(),
|
| 703 |
+
build_monte_carlo_section(),
|
| 704 |
+
],
|
| 705 |
+
)
|
| 706 |
+
|
| 707 |
+
|
| 708 |
+
# ============================================================
|
| 709 |
+
# Main layout
|
| 710 |
+
# ============================================================
|
| 711 |
+
|
| 712 |
+
def build_main_layout() -> html.Div:
|
| 713 |
+
|
| 714 |
+
placeholder_fig = build_placeholder_figure()
|
| 715 |
+
|
| 716 |
+
return html.Div(
|
| 717 |
+
style=PAGE_STYLE,
|
| 718 |
+
children=[
|
| 719 |
+
html.H1(
|
| 720 |
+
"Extraction condition comparison tool",
|
| 721 |
+
style=TITLE_STYLE,
|
| 722 |
+
),
|
| 723 |
+
|
| 724 |
+
html.Div(
|
| 725 |
+
style={
|
| 726 |
+
"display": "flex",
|
| 727 |
+
"gap": "40px",
|
| 728 |
+
},
|
| 729 |
+
children=[
|
| 730 |
+
build_controls_panel(),
|
| 731 |
+
build_results_panel(
|
| 732 |
+
placeholder_fig
|
| 733 |
+
),
|
| 734 |
+
],
|
| 735 |
+
),
|
| 736 |
+
],
|
| 737 |
+
)
|