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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,138 +1,137 @@ | ||
| { | ||
| "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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