{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "d4e67406",
   "metadata": {},
   "source": [
    "# Multfluid mutant\n",
    "\n",
    "These adapted multifluid models are used for fitting departure functions. The pure fluids remain fixed while you can adjust the mixture model, both the interaction parameters as well as the departure function terms"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "3579cfa2",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2024-10-29T15:24:14.702192Z",
     "iopub.status.busy": "2024-10-29T15:24:14.701751Z",
     "iopub.status.idle": "2024-10-29T15:24:14.781703Z",
     "shell.execute_reply": "2024-10-29T15:24:14.781004Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'0.21.0'"
      ]
     },
     "execution_count": 1,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "import teqp, numpy as np\n",
    "teqp.__version__"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "ee024418",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2024-10-29T15:24:14.785511Z",
     "iopub.status.busy": "2024-10-29T15:24:14.784524Z",
     "iopub.status.idle": "2024-10-29T15:24:14.857839Z",
     "shell.execute_reply": "2024-10-29T15:24:14.857278Z"
    }
   },
   "outputs": [],
   "source": [
    "basemodel = teqp.build_multifluid_model(['Nitrogen','Ethane'], teqp.get_datapath())\n",
    "s = {\n",
    "    \"0\": {\n",
    "        \"1\": {\n",
    "            \"BIP\": {\n",
    "                \"betaT\": 1.1,\n",
    "                \"gammaT\": 0.9,\n",
    "                \"betaV\": 1.05,\n",
    "                \"gammaV\": 1.3,\n",
    "                \"Fij\": 1.0\n",
    "            },\n",
    "            \"departure\":{\n",
    "                \"type\": \"none\"\n",
    "            }\n",
    "        }\n",
    "    }\n",
    "}\n",
    "mutant = teqp.build_multifluid_mutant(basemodel, s)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "1eeef8db",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2024-10-29T15:24:14.860008Z",
     "iopub.status.busy": "2024-10-29T15:24:14.859566Z",
     "iopub.status.idle": "2024-10-29T15:24:18.068140Z",
     "shell.execute_reply": "2024-10-29T15:24:18.067482Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "31.4 μs ± 2.63 μs per loop (mean ± std. dev. of 7 runs, 10,000 loops each)\n"
     ]
    }
   ],
   "source": [
    "%timeit teqp.build_multifluid_mutant(basemodel, s)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "53af2daf",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2024-10-29T15:24:18.070337Z",
     "iopub.status.busy": "2024-10-29T15:24:18.070095Z",
     "iopub.status.idle": "2024-10-29T15:24:18.074757Z",
     "shell.execute_reply": "2024-10-29T15:24:18.074212Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-0.0001751718403989357"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mutant.get_Ar01(300, 3.0, np.array([0.5, 0.5]))"
   ]
  }
 ],
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  "kernelspec": {
   "display_name": "Python 3 (ipykernel)",
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    "name": "ipython",
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