Small profiling notebook for model instantation

Also tests GERG-2008
usnistgov · Dec 12, 2023 · 5d32718 · 5d32718
1 parent 4f4db41
commit 5d32718
Showing 1 changed file with 140 additions and 0 deletions.
diff --git a/notebooks/Bench schema validation.ipynb b/notebooks/Bench schema validation.ipynb
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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "fdae749b",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "j1 = {\n",
+    "    \"kind\": \"vdW1\",\n",
+    "    \"model\": {\n",
+    "        \"a\": 1,\n",
+    "        \"b\": 2\n",
+    "    }\n",
+    "}\n",
+    "j2 = {\n",
+    "    \"kind\": \"PCSAFT\",\n",
+    "    \"model\": {\n",
+    "        \"names\": [\"Methane\", \"Ethane\"],\n",
+    "        \"kmat\": [[0.0, 0.0],[0.0,0.0]]\n",
+    "    }\n",
+    "}\n",
+    "j3 = {\"kind\": \"SAFT-VR-Mie\", \"model\": {\"coeffs\": [{\"name\": \"R1234YF\", \"BibTeXKey\": \"Paricaud\", \"m\": 1.3656, \"sigma_Angstrom\": 4.5307, \"epsilon_over_k\": 299.424, \"lambda_r\": 21.7779, \"lambda_a\": 6.0, \"mu_D\": 2.2814, \"nmu\": 1.0, \"Q_DA\": 1.4151, \"nQ\": 1.0}, {\"name\": \"?\", \"BibTeXKey\": \"Paricaud\", \"m\": 1.4656, \"sigma_Angstrom\": 4.7307, \"epsilon_over_k\": 289.424, \"lambda_r\": 21.7779, \"lambda_a\": 6.0, \"mu_D\": 2.2814, \"nmu\": 1.0, \"Q_DA\": 1.4151, \"nQ\": 1.0}], \"polar_model\": \"GubbinsTwu+GubbinsTwu\"}}\n",
+    "import teqp"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "id": "3efd41cd",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "10.2 µs ± 54.7 ns per loop (mean ± std. dev. of 7 runs, 100,000 loops each)\n",
+      "240 µs ± 4.39 µs per loop (mean ± std. dev. of 7 runs, 1,000 loops each)\n",
+      "520 µs ± 1.56 µs per loop (mean ± std. dev. of 7 runs, 1,000 loops each)\n"
+     ]
+    }
+   ],
+   "source": [
+    "%timeit teqp.make_model(j1)\n",
+    "%timeit teqp.make_model(j2)\n",
+    "%timeit teqp.make_model(j3)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "788e6678",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "3.22 µs ± 38.3 ns per loop (mean ± std. dev. of 7 runs, 100,000 loops each)\n",
+      "9.89 µs ± 46.7 ns per loop (mean ± std. dev. of 7 runs, 100,000 loops each)\n",
+      "28.3 µs ± 101 ns per loop (mean ± std. dev. of 7 runs, 10,000 loops each)\n"
+     ]
+    }
+   ],
+   "source": [
+    "%timeit teqp.make_model(j1, validate=False)\n",
+    "%timeit teqp.make_model(j2, validate=False)\n",
+    "%timeit teqp.make_model(j3, validate=False)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "id": "a285b19b",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "names = [\"methane\", \"ethane\", \"propane\", \"n-butane\"]\n",
+    "\n",
+    "j1 = {\n",
+    "    \"kind\": \"GERG2004resid\",\n",
+    "    \"model\": {\n",
+    "        \"names\": names\n",
+    "    }\n",
+    "}\n",
+    "\n",
+    "j2 = {\n",
+    "    \"kind\": \"GERG2008resid\",\n",
+    "    \"model\": {\n",
+    "        \"names\": names\n",
+    "    }\n",
+    "}\n",
+    "m1 = teqp.make_model(j1)\n",
+    "m2 = teqp.make_model(j2)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "21b3242c",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "25.9 µs ± 168 ns per loop (mean ± std. dev. of 7 runs, 10,000 loops each)\n",
+      "26.2 µs ± 37.2 ns per loop (mean ± std. dev. of 7 runs, 10,000 loops each)\n"
+     ]
+    }
+   ],
+   "source": [
+    "%timeit teqp.make_model(j1, validate=False)\n",
+    "%timeit teqp.make_model(j2, validate=False)"
+   ]
+  }
+ ],
+ "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": "3.10.6"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}