diff --git a/docs/source/notebooks/MACS_User_notebook.ipynb b/docs/source/notebooks/MACS_User_notebook.ipynb index 030074d..953131b 100644 --- a/docs/source/notebooks/MACS_User_notebook.ipynb +++ b/docs/source/notebooks/MACS_User_notebook.ipynb @@ -17,17 +17,17 @@ }, { "cell_type": "code", - "execution_count": 79, + "execution_count": 1, "id": "7a8918f4", "metadata": {}, "outputs": [], "source": [ - "!pip install -q git+https://github.com/thallor1/pyMACS.git requests" + "#!pip install -q git+https://github.com/thallor1/pyMACS.git requests" ] }, { "cell_type": "code", - "execution_count": 80, + "execution_count": 2, "id": "910b0952", "metadata": {}, "outputs": [], @@ -38,7 +38,7 @@ }, { "cell_type": "code", - "execution_count": 81, + "execution_count": 3, "id": "b641a6fa-635c-42d9-8f80-9e4e864189a4", "metadata": {}, "outputs": [], @@ -57,7 +57,7 @@ }, { "cell_type": "code", - "execution_count": 82, + "execution_count": 4, "id": "c124891d-e194-48b8-b4b1-2c0c0b9c8126", "metadata": { "editable": true, @@ -111,7 +111,7 @@ }, { "cell_type": "code", - "execution_count": 83, + "execution_count": 5, "id": "df544de4-a1f5-4337-a40b-7dad043958d2", "metadata": {}, "outputs": [ @@ -170,7 +170,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/mnt/c/Users/tjh/OneDrive - NIST/GitHub/pyMACS/pyMACS/scripting/resfunc.py:588: UserWarning: FigureCanvasAgg is non-interactive, and thus cannot be shown\n", + "/home/tjh/mambaforge/envs/mantid/lib/python3.10/site-packages/pyMACS/scripting/resfunc.py:588: UserWarning: FigureCanvasAgg is non-interactive, and thus cannot be shown\n", " fig.show()\n" ] }, @@ -207,7 +207,7 @@ }, { "cell_type": "code", - "execution_count": 84, + "execution_count": 6, "id": "2164a7db-b31c-4ef2-8427-01d3deaade65", "metadata": {}, "outputs": [], @@ -230,7 +230,7 @@ }, { "cell_type": "code", - "execution_count": 85, + "execution_count": 7, "id": "d98cf19a-45ed-42d1-8f81-fcb8fb0e0cdd", "metadata": {}, "outputs": [ @@ -238,7 +238,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/tmp/ipykernel_32879/1738536076.py:61: UserWarning: FigureCanvasAgg is non-interactive, and thus cannot be shown\n", + "/tmp/ipykernel_95747/1738536076.py:61: UserWarning: FigureCanvasAgg is non-interactive, and thus cannot be shown\n", " fig.show()\n" ] }, @@ -329,20 +329,20 @@ }, { "cell_type": "code", - "execution_count": 86, + "execution_count": 8, "id": "ec9a8525-2394-4b6e-9fb0-ac2703ecae5b", "metadata": {}, "outputs": [ { "ename": "FileNotFoundError", - "evalue": "[Errno 2] No such file or directory: '/mnt/c/Users/tjh/OneDrive - NIST/GitHub/pyMACS/pyMACS/scripting/interp_fwhm/MACS_Ef_3p7_interp_dQx.pck'", + "evalue": "[Errno 2] No such file or directory: '/home/tjh/mambaforge/envs/mantid/lib/python3.10/site-packages/pyMACS/scripting/interp_fwhm/MACS_Ef_3p7_interp_dQx.pck'", "output_type": "error", "traceback": [ "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", "\u001b[0;31mFileNotFoundError\u001b[0m Traceback (most recent call last)", - "Cell \u001b[0;32mIn[86], line 6\u001b[0m\n\u001b[1;32m 4\u001b[0m omegas \u001b[38;5;241m=\u001b[39m np\u001b[38;5;241m.\u001b[39mlinspace(\u001b[38;5;241m0\u001b[39m,\u001b[38;5;241m10\u001b[39m,\u001b[38;5;241m50\u001b[39m)\n\u001b[1;32m 5\u001b[0m macs_instr\u001b[38;5;241m.\u001b[39mkidney\u001b[38;5;241m.\u001b[39mEf\u001b[38;5;241m=\u001b[39mmacsEf\n\u001b[0;32m----> 6\u001b[0m interp_dQx, interp_dQz, interp_dE \u001b[38;5;241m=\u001b[39m \u001b[43mmacs_instr\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mload_res_fwhm_interp_objects\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 7\u001b[0m \u001b[38;5;66;03m#These interpolators require input in terms of lab fram, not H,K,L. This is done in the following way.\u001b[39;00m\n\u001b[1;32m 8\u001b[0m qx1,qz1 \u001b[38;5;241m=\u001b[39m macs_instr\u001b[38;5;241m.\u001b[39msample\u001b[38;5;241m.\u001b[39mHKL_to_QxQz(H1,K1,L1)\n", - "File \u001b[0;32m/mnt/c/Users/tjh/OneDrive - NIST/GitHub/pyMACS/pyMACS/virtualMACS.py:1094\u001b[0m, in \u001b[0;36mVirtualMACS.load_res_fwhm_interp_objects\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m 1092\u001b[0m f_dQx \u001b[38;5;241m=\u001b[39m interp_dir\u001b[38;5;241m+\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mMACS_Ef_3p7_interp_dQx.pck\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m 1093\u001b[0m f_dQz \u001b[38;5;241m=\u001b[39m interp_dir\u001b[38;5;241m+\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mMACS_Ef_3p7_interp_dQz.pck\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[0;32m-> 1094\u001b[0m \u001b[38;5;28;01mwith\u001b[39;00m \u001b[38;5;28;43mopen\u001b[39;49m\u001b[43m(\u001b[49m\u001b[43mf_dQx\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mrb\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m \u001b[38;5;28;01mas\u001b[39;00m input_file:\n\u001b[1;32m 1095\u001b[0m interp_dQx \u001b[38;5;241m=\u001b[39m pickle\u001b[38;5;241m.\u001b[39mload(input_file)\n\u001b[1;32m 1096\u001b[0m \u001b[38;5;28;01mwith\u001b[39;00m \u001b[38;5;28mopen\u001b[39m(f_dQz, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mrb\u001b[39m\u001b[38;5;124m\"\u001b[39m) \u001b[38;5;28;01mas\u001b[39;00m input_file:\n", - "\u001b[0;31mFileNotFoundError\u001b[0m: [Errno 2] No such file or directory: '/mnt/c/Users/tjh/OneDrive - NIST/GitHub/pyMACS/pyMACS/scripting/interp_fwhm/MACS_Ef_3p7_interp_dQx.pck'" + "Cell \u001b[0;32mIn[8], line 6\u001b[0m\n\u001b[1;32m 4\u001b[0m omegas \u001b[38;5;241m=\u001b[39m np\u001b[38;5;241m.\u001b[39mlinspace(\u001b[38;5;241m0\u001b[39m,\u001b[38;5;241m10\u001b[39m,\u001b[38;5;241m50\u001b[39m)\n\u001b[1;32m 5\u001b[0m macs_instr\u001b[38;5;241m.\u001b[39mkidney\u001b[38;5;241m.\u001b[39mEf\u001b[38;5;241m=\u001b[39mmacsEf\n\u001b[0;32m----> 6\u001b[0m interp_dQx, interp_dQz, interp_dE \u001b[38;5;241m=\u001b[39m \u001b[43mmacs_instr\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mload_res_fwhm_interp_objects\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 7\u001b[0m \u001b[38;5;66;03m#These interpolators require input in terms of lab fram, not H,K,L. This is done in the following way.\u001b[39;00m\n\u001b[1;32m 8\u001b[0m qx1,qz1 \u001b[38;5;241m=\u001b[39m macs_instr\u001b[38;5;241m.\u001b[39msample\u001b[38;5;241m.\u001b[39mHKL_to_QxQz(H1,K1,L1)\n", + "File \u001b[0;32m~/mambaforge/envs/mantid/lib/python3.10/site-packages/pyMACS/virtualMACS.py:1094\u001b[0m, in \u001b[0;36mVirtualMACS.load_res_fwhm_interp_objects\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m 1092\u001b[0m f_dQx \u001b[38;5;241m=\u001b[39m interp_dir\u001b[38;5;241m+\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mMACS_Ef_3p7_interp_dQx.pck\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m 1093\u001b[0m f_dQz \u001b[38;5;241m=\u001b[39m interp_dir\u001b[38;5;241m+\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mMACS_Ef_3p7_interp_dQz.pck\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[0;32m-> 1094\u001b[0m \u001b[38;5;28;01mwith\u001b[39;00m \u001b[38;5;28;43mopen\u001b[39;49m\u001b[43m(\u001b[49m\u001b[43mf_dQx\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mrb\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m \u001b[38;5;28;01mas\u001b[39;00m input_file:\n\u001b[1;32m 1095\u001b[0m interp_dQx \u001b[38;5;241m=\u001b[39m pickle\u001b[38;5;241m.\u001b[39mload(input_file)\n\u001b[1;32m 1096\u001b[0m \u001b[38;5;28;01mwith\u001b[39;00m \u001b[38;5;28mopen\u001b[39m(f_dQz, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mrb\u001b[39m\u001b[38;5;124m\"\u001b[39m) \u001b[38;5;28;01mas\u001b[39;00m input_file:\n", + "\u001b[0;31mFileNotFoundError\u001b[0m: [Errno 2] No such file or directory: '/home/tjh/mambaforge/envs/mantid/lib/python3.10/site-packages/pyMACS/scripting/interp_fwhm/MACS_Ef_3p7_interp_dQx.pck'" ] } ], @@ -373,22 +373,6 @@ "ax.set_title(f\"Energy Resolution at [{H1:.2f},{K1:.2f},{L1:.2f}] point, MACS Ef={macsEf}\",fontsize=10)\n", "\n" ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "4a0c237f-7ce1-4d1d-a72d-b8aba53a4911", - "metadata": {}, - "outputs": [], - "source": [] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "d3b59da7-183f-4969-828d-63a6f7ba9963", - "metadata": {}, - "outputs": [], - "source": [] } ], "metadata": {