Custom perturbation with dataframes

notebooks/notebook_Edistr_custom_perturbation.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import sandy"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import pandas as pd\n",
+    "import numpy as np\n",
+    "import matplotlib.pyplot as plt"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "%load_ext autoreload\n",
+    "%autoreload 2"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "col = columns = pd.MultiIndex.from_product([[9237], [18], [0], [1.00000e-05], [2.00000e-05]], names=['MAT', 'MT', 'K', 'ELO', 'EHI'])\n",
+    "pert = pd.DataFrame([1.3, 1.5, 1.2, 1.1, 1, 0.7, 1.6, 0.5, 1.8, 1.5, 0.6, 1.5, 0.8], \n",
+    "                    index=sandy.energy_grids.CASMO12,\n",
+    "                    columns=col)\n",
+    "pert = sandy.Pert(pert)\n",
+    "pert"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Custom perturbation of U-238:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "extra_points = np.logspace(-5, 7, 49)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "edistr = sandy.Edistr.from_endf6(sandy.get_endf6_file(\"jeff_33\", \"xs\", 922380)).reshape(extra_points)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "edistr_pert = edistr.custom_perturbation(pert)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "mask = (9237 == edistr.data.MAT) & \\\n",
+    "       (18 == edistr.data.MT) & \\\n",
+    "       (0 == edistr.data.K) & \\\n",
+    "       (1.00000e-05 == edistr.data.EIN)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "fig, ax = plt.subplots(figsize=(7, 3.5), dpi=100)\n",
+    "edistr.data[mask][['EOUT', \"VALUE\"]].set_index('EOUT').plot(logx=True, logy=True, alpha=0.8, linewidth=0.9, ax=ax)\n",
+    "edistr_pert.data[mask][['EOUT', \"VALUE\"]].set_index('EOUT').plot(logx=True, logy=True, alpha=0.8, linewidth=0.9, ax=ax)\n",
+    "ax.set_ylabel(\"Legendre polynomial coefficients for P=1\")\n",
+    "ax.set_xlabel(\"energy / eV\")\n",
+    "fig.tight_layout()"
+   ]
+  }
+ ],
+ "metadata": {
+  "interpreter": {
+   "hash": "d167b81dab4cfdd7e83bd7f0413ce20e956b35802f4873808516fc813094dcfb"
+  },
+  "kernelspec": {
+   "display_name": "Python 3.7.10 ('sandy-devel')",
+   "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": "3.7.10"
+  },
+  "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

notebooks/notebook_Lpc_custom_perturbation.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import sandy"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import pandas as pd\n",
+    "import numpy as np\n",
+    "import matplotlib.pyplot as plt"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "col = pd.MultiIndex.from_arrays([[2], [9237], [1]], names=('MT', 'MAT', 'P'))\n",
+    "pert = pd.DataFrame([1.3, 1.5, 1.2, 1.1, 1, 0.7, 1.6, 0.5, 1.8, 1.5, 0.6, 1.5, 0.8], \n",
+    "                    index=sandy.energy_grids.CASMO12,\n",
+    "                    columns=col)\n",
+    "pert = sandy.Pert(pert)\n",
+    "pert"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Custom perturbation of U-238:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "extra_points = np.logspace(-5, 7, 49)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lpc = sandy.Lpc.from_endf6(sandy.get_endf6_file(\"jeff_33\", \"xs\", 922380)).reshape(extra_points)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lpc_pert = lpc.custom_perturbation(pert)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "fig, ax = plt.subplots(figsize=(7, 3.5), dpi=100)\n",
+    "lpc.data.loc[(9237, 2), (1)].plot(logx=True, logy=True, alpha=0.8, linewidth=0.9, ax=ax)\n",
+    "lpc_pert.data.loc[(9237, 2), (1)].plot(logx=True, logy=True, alpha=0.8, linewidth=0.9, ax=ax)\n",
+    "ax.set_ylabel(\"Legendre polynomial coefficients for P=1\")\n",
+    "ax.set_xlabel(\"energy / eV\")\n",
+    "fig.tight_layout()"
+   ]
+  }
+ ],
+ "metadata": {
+  "interpreter": {
+   "hash": "d167b81dab4cfdd7e83bd7f0413ce20e956b35802f4873808516fc813094dcfb"
+  },
+  "kernelspec": {
+   "display_name": "Python 3.7.10 ('sandy-devel')",
+   "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": "3.7.10"
+  },
+  "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

notebooks/notebook_Xs_custom_perturbation.ipynb

@@ -0,0 +1,100 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import sandy"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import pandas as pd\n",
+    "import matplotlib.pyplot as plt"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "col = pd.MultiIndex.from_arrays([[2], [125]], names=('MT', 'MAT'))\n",
+    "pert = pd.DataFrame([1.3, 1.5, 1.2, 1.1, 1, 0.7, 1.6, 0.5, 1.8, 1.5, 0.6, 1.5, 0.8], \n",
+    "                    index=sandy.energy_grids.CASMO12,\n",
+    "                    columns=col)\n",
+    "pert = sandy.Pert(pert)\n",
+    "pert"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Custom perturbation of H:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "xs = sandy.Xs.from_endf6(sandy.get_endf6_file(\"jeff_33\", \"xs\", 10010))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "xs_pert = xs.custom_perturbation(pert)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "fig, ax = plt.subplots(figsize=(7, 3.5), dpi=100)\n",
+    "xs.data.plot(logx=True, logy=True, alpha=0.8, linewidth=0.9, ax=ax)\n",
+    "xs_pert.data.plot(logx=True, logy=True, alpha=0.8, linewidth=0.9, ax=ax)\n",
+    "ax.set_ylabel(\"cross section / b\")\n",
+    "ax.set_xlabel(\"energy / eV\")\n",
+    "ax.set_xlim([1e-5, 2e7])\n",
+    "ax.set_ylim([1e-1, 1e4])\n",
+    "fig.tight_layout()"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python3 (sandy-devel)",
+   "language": "python",
+   "name": "sandy-devel"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.7.10"
+  },
+  "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}