|
41 | 41 | }, |
42 | 42 | { |
43 | 43 | "cell_type": "code", |
44 | | - "outputs": [], |
45 | 44 | "source": [ |
46 | 45 | "# Material selection\n", |
47 | 46 | "MATERIAL_NAME = \"Boron_Nitride\" # Name of the material to import from Standata\n", |
|
73 | 72 | "collapsed": false |
74 | 73 | }, |
75 | 74 | "id": "338ee3c51155e086", |
| 75 | + "outputs": [], |
76 | 76 | "execution_count": null |
77 | 77 | }, |
78 | 78 | { |
|
88 | 88 | }, |
89 | 89 | { |
90 | 90 | "cell_type": "code", |
91 | | - "outputs": [], |
92 | 91 | "source": [ |
93 | 92 | "import sys\n", |
94 | 93 | "\n", |
|
104 | 103 | "collapsed": false |
105 | 104 | }, |
106 | 105 | "id": "7e22d1f4da825575", |
| 106 | + "outputs": [], |
107 | 107 | "execution_count": null |
108 | 108 | }, |
109 | 109 | { |
|
118 | 118 | }, |
119 | 119 | { |
120 | 120 | "cell_type": "code", |
121 | | - "outputs": [], |
122 | 121 | "source": [ |
123 | 122 | "from mat3ra.standata.materials import Materials\n", |
124 | 123 | "from mat3ra.made.material import Material\n", |
|
129 | 128 | "collapsed": false |
130 | 129 | }, |
131 | 130 | "id": "a1635c31132962f6", |
| 131 | + "outputs": [], |
132 | 132 | "execution_count": null |
133 | 133 | }, |
134 | 134 | { |
|
144 | 144 | }, |
145 | 145 | { |
146 | 146 | "cell_type": "code", |
147 | | - "outputs": [], |
148 | 147 | "source": [ |
149 | 148 | "from utils.visualize import visualize_materials\n", |
150 | 149 | "\n", |
|
155 | 154 | "collapsed": false |
156 | 155 | }, |
157 | 156 | "id": "61f0870d8104cd21", |
| 157 | + "outputs": [], |
158 | 158 | "execution_count": null |
159 | 159 | }, |
160 | 160 | { |
|
170 | 170 | }, |
171 | 171 | { |
172 | 172 | "cell_type": "code", |
173 | | - "outputs": [], |
174 | 173 | "source": [ |
175 | 174 | "from mat3ra.made.tools.build.grain_boundary import (\n", |
176 | 175 | " SurfaceGrainBoundaryConfiguration,\n", |
|
200 | 199 | "collapsed": false |
201 | 200 | }, |
202 | 201 | "id": "33a2c8a9be436745", |
| 202 | + "outputs": [], |
203 | 203 | "execution_count": null |
204 | 204 | }, |
205 | 205 | { |
|
214 | 214 | }, |
215 | 215 | { |
216 | 216 | "cell_type": "code", |
217 | | - "outputs": [], |
218 | 217 | "source": [ |
219 | 218 | "from utils.plot import plot_twisted_interface_solutions\n", |
220 | 219 | "\n", |
|
234 | 233 | "collapsed": false |
235 | 234 | }, |
236 | 235 | "id": "d7007fe825463e5a", |
| 236 | + "outputs": [], |
237 | 237 | "execution_count": null |
238 | 238 | }, |
239 | 239 | { |
|
249 | 249 | }, |
250 | 250 | { |
251 | 251 | "cell_type": "code", |
252 | | - "outputs": [], |
253 | 252 | "source": [ |
254 | 253 | "selected_structure = grain_boundaries[0]\n", |
255 | 254 | "\n", |
|
265 | 264 | "collapsed": false |
266 | 265 | }, |
267 | 266 | "id": "7f558a8e9d417cef", |
| 267 | + "outputs": [], |
268 | 268 | "execution_count": null |
269 | 269 | }, |
270 | 270 | { |
|
279 | 279 | }, |
280 | 280 | { |
281 | 281 | "cell_type": "code", |
282 | | - "outputs": [], |
283 | 282 | "source": [ |
284 | | - "from utils.jupyterlite import download_content_to_file\n", |
| 283 | + "from utils.jupyterlite import download_content_to_file, set_materials\n", |
285 | 284 | "\n", |
| 285 | + "set_materials(selected_structure)\n", |
286 | 286 | "download_content_to_file(selected_structure, \"grain_boundary_2d_boron_nitride.json\")" |
287 | 287 | ], |
288 | 288 | "metadata": { |
289 | 289 | "collapsed": false |
290 | 290 | }, |
291 | 291 | "id": "20e46167358d63", |
| 292 | + "outputs": [], |
292 | 293 | "execution_count": null |
293 | 294 | } |
294 | 295 | ], |
|
0 commit comments