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  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Reading isotherms\n",
    "\n",
    "The first thing to do is to read previously created isotherms. Example data can\n",
    "be found in the\n",
    "[data](https://github.com/pauliacomi/pyGAPS/tree/master/docs/examples/data)\n",
    "directory, saved in the pyGAPS JSON format, which we will now open. First, we'll\n",
    "do the necessary top-level imports for the session."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from pathlib import Path\n",
    "import pygaps.parsing as pgp\n",
    "\n",
    "json_path = Path.cwd() / 'data'"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Then we'll import the json files, by using the `isotherm_from_json` method which\n",
    "reads an isotherm from a file (or a string). There are four folders:\n",
    "\n",
    "- One containing nitrogen adsorption data at 77 kelvin"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Selected 5 isotherms with nitrogen at 77K\n"
     ]
    }
   ],
   "source": [
    "# Get the nitrogen data at 77 kelvin\n",
    "isotherms_n2_77k_paths = Path(json_path / 'characterisation').rglob(\"*.json\")\n",
    "isotherms_n2_77k = [pgp.isotherm_from_json(filepath) for filepath in isotherms_n2_77k_paths]\n",
    "print('Selected', len(isotherms_n2_77k), 'isotherms with nitrogen at 77K')"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "- Another with room-temperature adsorption of $CO_2$ combined with microcalorimetry"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Selected 2 room temperature calorimetry isotherms\n"
     ]
    }
   ],
   "source": [
    "# Get the combined isotherm-calorimetry data\n",
    "isotherms_calorimetry_paths = Path(json_path / 'calorimetry').rglob(\"*.json\")\n",
    "isotherms_calorimetry = [\n",
    "    pgp.isotherm_from_json(filepath) for filepath in isotherms_calorimetry_paths\n",
    "]\n",
    "print('Selected', len(isotherms_calorimetry), 'room temperature calorimetry isotherms')"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "- Some room-temperature isotherms which we will use for IAST calculations"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Selected 2 isotherms for IAST calculation\n"
     ]
    }
   ],
   "source": [
    "# Get the isotherms for IAST calculations\n",
    "isotherms_iast_paths = Path(json_path / 'iast').rglob(\"*.json\")\n",
    "isotherms_iast = [pgp.isotherm_from_json(filepath) for filepath in isotherms_iast_paths]\n",
    "print('Selected', len(isotherms_iast), 'isotherms for IAST calculation')"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "- A set of isotherms with $C_4H_{10}$ at different temperature, for isosteric enthalpy calculations"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Selected 3 isotherms for isosteric enthalpy calculation\n"
     ]
    }
   ],
   "source": [
    "# Get the isotherms for isosteric enthalpy calculations\n",
    "isotherms_isosteric_paths = list(Path(json_path / 'enth_isosteric').rglob(\"*.json\"))\n",
    "isotherms_isosteric = [pgp.isotherm_from_json(filepath) for filepath in isotherms_isosteric_paths]\n",
    "print('Selected', len(isotherms_isosteric), 'isotherms for isosteric enthalpy calculation')"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "- Isotherms used for Whittaker enthalpy calculations"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "isotherms_enth_whittaker_paths = list(Path(json_path / 'enth_whittaker').rglob(\"*.aiff\"))\n",
    "isotherms_enth_whittaker = [\n",
    "    pgp.isotherm_from_aif(filepath) for filepath in isotherms_enth_whittaker_paths\n",
    "]"
   ]
  }
 ],
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