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 "cells": [
  {
   "cell_type": "markdown",
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   "source": [
    "# Free Flame Example\n",
    "\n",
    "This example uses `ctwrap` for one-dimensional adiabatic premixed flame simulations defined by the simulation module `freeflame` (`ctwrap.modules.freeflame`)."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Function/Class Definitions"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "import cantera as ct\n",
    "import ctwrap as cw\n",
    "import json"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Simulations"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Create Simulation Object\n",
    "\n",
    "Uses a module in the `modules` folder. Modules do not have to depend on `ctwrap`."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "sim = cw.Simulation.from_module(cw.modules.freeflame)\n",
    "sim"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Create Simulation Handler"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "fname = 'freeflame.yaml'\n",
    "s = cw.SimulationHandler.from_yaml(fname, strategy='matrix', verbosity=1)\n",
    "s"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Run Simulation Tasks in Parallel"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "%%time\n",
    "s.run_parallel(sim, verbosity=0)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Create Graphical Output"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "import h5py\n",
    "import matplotlib.pyplot as plt\n",
    "import matplotlib as mpl\n",
    "col = mpl.rcParams['axes.prop_cycle'].by_key()['color']\n",
    "n_col = len(col)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Load Data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "data = h5py.File(s.output_name, 'r')\n",
    "data.keys()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "data.attrs.keys()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "var = json.loads(data.attrs['strategy'])\n",
    "var"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "default = json.loads(data.attrs['defaults'])\n",
    "default"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "up = default.get('upstream')\n",
    "up"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "cases = json.loads(data.attrs['cases'])\n",
    "cases"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "phi = [t['upstream.phi'] for t in cases.values() \n",
    "       if t['model.transport'] == 'mix']\n",
    "phi"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "mix = {k: dict(data[k]['flame']) for k, v in cases.items() \n",
    "       if v['model.transport'] == 'mix'}\n",
    "mlt = {k: dict(data[k]['flame']) for k, v in cases.items() \n",
    "       if v['model.transport'] == 'multi'}\n",
    "sor = {k: dict(data[k]['flame']) for k, v in cases.items() \n",
    "       if v['model.transport'] == 'soret'}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "mix.keys()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Plot\n",
    "\n",
    "Plot flame speeds and temperature profiles"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# create figure\n",
    "fig, ax = plt.subplots(1)\n",
    "fig.set_size_inches(8.,6.)\n",
    "\n",
    "# plot results\n",
    "u_mix = [ mix[t]['velocity'][0] for t in mix]\n",
    "u_mlt = [ mlt[t]['velocity'][0] for t in mlt]\n",
    "u_sor = [ sor[t]['velocity'][0] for t in sor]\n",
    "\n",
    "ax.plot(phi, u_mix, marker='o', \n",
    "            linestyle='none', label='mixture-averaged') \n",
    "ax.plot(phi, u_mlt, marker='s', \n",
    "            markerfacecolor='none',\n",
    "            linestyle='none', label='multi-component') \n",
    "ax.plot(phi, u_sor, marker='x', \n",
    "            markerfacecolor='none',\n",
    "            linestyle='none', label='soret enabled') \n",
    "\n",
    "# add title/axis labels\n",
    "ax.set_xlabel('Equivalence ratio (-)')\n",
    "ax.set_ylabel('Flame speed (m/s)')\n",
    "\n",
    "ax.set_title('Free premixed flame simulation for {} with {}'.format(up['fuel'],up['oxidizer']))\n",
    "\n",
    "# add legend\n",
    "leg = ax.legend(loc='lower right',#prop={'size':11},\n",
    "                title='Transport Model') # % mech)\n",
    "_ = leg.draw_frame(False) "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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