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 "cells": [
  {
   "cell_type": "markdown",
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   "source": [
    "# Ignition Example\n",
    "\n",
    "This example uses `ctwrap` for ideal gas constant pressure reactor simulations (i.e. ignition) defined by the simulation module `ignition` (`ctwrap.modules.ignition`)."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Function/Class Definitions"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "import matplotlib.pyplot as plt\n",
    "import matplotlib as mpl\n",
    "import h5py\n",
    "import json\n",
    "col = mpl.rcParams['axes.prop_cycle'].by_key()['color']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "import ctwrap as cw\n",
    "cw.__version__"
   ]
  },
  {
   "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.ignition)\n",
    "sim"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Create Simulation Handler\n",
    "\n",
    "Parameters are specified via YAML file"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# create variation object\n",
    "fname = 'ignition.yaml'\n",
    "sh = cw.SimulationHandler.from_yaml(fname, verbosity=1)\n",
    "sh"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Run parallel simulation"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "%%time\n",
    "sh.run_parallel(sim)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Create graphical output"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Load data from file"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "data = h5py.File(sh.output_name, 'r')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "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": [
    "phi = var['sequence'].get('initial.phi')\n",
    "phi"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Plot\n",
    "\n",
    "Display time histories for gas temperature."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# create figure and adjust size\n",
    "fig, ax = plt.subplots(1) \n",
    "fig.set_size_inches(8.,8.)\n",
    "\n",
    "# plot results\n",
    "for f, key in enumerate(data):\n",
    "    df = data[key]\n",
    "    ax.plot(1000*df['t'][:], df['T'][:], color=col[f], label=phi[f]) \n",
    "\n",
    "# add title/axis labels\n",
    "ax.set_title(r'IdealGasConstPressure Reactor Simulation (ignition)')\n",
    "ax.set_xlabel('Time (ms)')\n",
    "ax.set_ylabel('Temperature (K)')\n",
    "\n",
    "# add legend\n",
    "leg = ax.legend(loc='upper left', title='Equivalence ratio')\n",
    "leg.draw_frame(False) "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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