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{ | ||
"cells": [ | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"%%javascript\n", | ||
"IPython.OutputArea.prototype._should_scroll = function(lines) {\n", | ||
" return false;\n", | ||
"}\n", | ||
"document.title='AiiDAlab QE app'" | ||
] | ||
"cells": [ | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"%%javascript\n", | ||
"IPython.OutputArea.prototype._should_scroll = function(lines) {\n", | ||
" return false;\n", | ||
"}\n", | ||
"document.title='AiiDAlab QE app'" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from aiida import load_profile\n", | ||
"\n", | ||
"load_profile();" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from aiidalab_widgets_base.utils.loaders import load_css\n", | ||
"\n", | ||
"load_css(css_path=\"src/aiidalab_qe/app/static/styles\")" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"# Fix pybel import path\n", | ||
"try:\n", | ||
" import sys\n", | ||
"\n", | ||
" sys.modules[\"pybel\"] = __import__(\"openbabel\", globals(), locals(), [\"pybel\"]).pybel\n", | ||
"except Exception:\n", | ||
" pass" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from IPython.display import display\n", | ||
"\n", | ||
"from aiidalab_qe.app.wrapper import AppWrapperContoller, AppWrapperModel, AppWrapperView\n", | ||
"\n", | ||
"model = AppWrapperModel()\n", | ||
"view = AppWrapperView()\n", | ||
"controller = AppWrapperContoller(model, view)\n", | ||
"\n", | ||
"display(view)" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from aiidalab_qe.app.main import App\n", | ||
"from aiidalab_widgets_base.bug_report import (\n", | ||
" install_create_github_issue_exception_handler,\n", | ||
")\n", | ||
"\n", | ||
"install_create_github_issue_exception_handler(\n", | ||
" view.output,\n", | ||
" url=\"https://github.com/aiidalab/aiidalab-qe/issues/new\",\n", | ||
" labels=(\"bug\", \"automated-report\"),\n", | ||
")\n", | ||
"\n", | ||
"app = App(qe_auto_setup=True)\n", | ||
"\n", | ||
"view.main.children = [app]" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"import urllib.parse as urlparse\n", | ||
"\n", | ||
"url = urlparse.urlsplit(jupyter_notebook_url) # noqa F821\n", | ||
"query = urlparse.parse_qs(url.query)\n", | ||
"if \"pk\" in query:\n", | ||
" app.process = query[\"pk\"][0]" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"controller.enable_toggles()" | ||
] | ||
} | ||
], | ||
"metadata": { | ||
"kernelspec": { | ||
"display_name": "base", | ||
"language": "python", | ||
"name": "python3" | ||
}, | ||
"language_info": { | ||
"codemirror_mode": { | ||
"name": "ipython", | ||
"version": 3 | ||
}, | ||
"file_extension": ".py", | ||
"mimetype": "text/x-python", | ||
"name": "python", | ||
"nbconvert_exporter": "python", | ||
"pygments_lexer": "ipython3", | ||
"version": "3.9.13" | ||
} | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from aiida import load_profile\n", | ||
"\n", | ||
"load_profile();" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from aiidalab_widgets_base.utils.loaders import load_css\n", | ||
"\n", | ||
"load_css(css_path=\"src/aiidalab_qe/app/static/styles\")" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"# Fix pybel import path\n", | ||
"try:\n", | ||
" import sys\n", | ||
"\n", | ||
" sys.modules[\"pybel\"] = __import__(\"openbabel\", globals(), locals(), [\"pybel\"]).pybel\n", | ||
"except Exception:\n", | ||
" pass" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from IPython.display import display\n", | ||
"\n", | ||
"from aiidalab_qe.app.wrapper import AppWrapperContoller, AppWrapperModel, AppWrapperView\n", | ||
"\n", | ||
"model = AppWrapperModel()\n", | ||
"view = AppWrapperView()\n", | ||
"controller = AppWrapperContoller(model, view)\n", | ||
"\n", | ||
"display(view)" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"import urllib.parse as urlparse\n", | ||
"\n", | ||
"from aiidalab_qe.app.main import App\n", | ||
"from aiidalab_widgets_base.bug_report import (\n", | ||
" install_create_github_issue_exception_handler,\n", | ||
")\n", | ||
"\n", | ||
"install_create_github_issue_exception_handler(\n", | ||
" view.output,\n", | ||
" url=\"https://github.com/aiidalab/aiidalab-qe/issues/new\",\n", | ||
" labels=(\"bug\", \"automated-report\"),\n", | ||
")\n", | ||
"\n", | ||
"url = urlparse.urlsplit(jupyter_notebook_url) # noqa F821\n", | ||
"query = urlparse.parse_qs(url.query)\n", | ||
"\n", | ||
"app = App(qe_auto_setup=True)\n", | ||
"# if a pk is provided in the query string, set it as the process of the app\n", | ||
"if \"pk\" in query:\n", | ||
" pk = query[\"pk\"][0]\n", | ||
" app.process = pk\n", | ||
"\n", | ||
"view.main.children = [app]\n", | ||
"view.app = app" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"controller.enable_toggles()" | ||
] | ||
} | ||
], | ||
"metadata": { | ||
"kernelspec": { | ||
"display_name": "Python 3 (ipykernel)", | ||
"language": "python", | ||
"name": "python3" | ||
}, | ||
"language_info": { | ||
"codemirror_mode": { | ||
"name": "ipython", | ||
"version": 3 | ||
}, | ||
"file_extension": ".py", | ||
"mimetype": "text/x-python", | ||
"name": "python", | ||
"nbconvert_exporter": "python", | ||
"pygments_lexer": "ipython3", | ||
"version": "3.9.13" | ||
}, | ||
"vscode": { | ||
"interpreter": { | ||
"hash": "d4d1e4263499bec80672ea0156c357c1ee493ec2b1c70f0acce89fc37c4a6abe" | ||
} | ||
} | ||
}, | ||
"nbformat": 4, | ||
"nbformat_minor": 4 | ||
"nbformat": 4, | ||
"nbformat_minor": 4 | ||
} |
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