{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Running Simulations from the Commandline\n",
    "\n",
    "All inputs are specified in YAML configuration files.\n",
    "\n",
    "Example makes are run on the command line within jupyter (using [system magic](https://ipython.readthedocs.io/en/stable/interactive/magics.html#magic-system) via `!`)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Help"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# display help \n",
    "! ctwrap --help"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# help of subcommand 'list'\n",
    "! ctwrap list --help"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# list available modules\n",
    "! ctwrap list"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# help of subcommand 'run'\n",
    "! ctwrap run --help"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## `minimal` Module\n",
    "\n",
    "This example uses the YAML configuration file `yaml/minimal.yaml`, which specifies \n",
    "two batch strategies (`sequence` and `matrix`)."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "%%time\n",
    "# run minimal module (with 'sequence' strategy)\n",
    "! ctwrap run minimal minimal.yaml --strategy sequence"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "%%time\n",
    "# run minimal module in parallel (with 'matrix' strategy)\n",
    "! ctwrap run minimal minimal.yaml --parallel --strategy matrix"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## `solution` Module\n",
    "\n",
    "This example uses the YAML configuration file `yaml/solution.yaml`, which queries\n",
    "a Cantera `Solution` object at a range of temperatures."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "%%time\n",
    "# run parameter variation using multiple cores (if made available)\n",
    "! ctwrap run solution solution.yaml -v --parallel --output solution_example.csv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "# delete output file\n",
    "! rm solution_example.csv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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