{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "# Custom Models in pycalphad: Viscosity"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "## Viscosity Model Background\n",
    "\n",
    "We are going to take a CALPHAD-based property model from the literature and use it to predict the viscosity of Al-Cu-Zr liquids.\n",
    "\n",
    "For a binary alloy liquid under small undercooling, Gąsior suggested an entropy model of the form\n",
    "$$\\eta = (\\sum_i x_i \\eta_i ) (1 - 2\\frac{S_{ex}}{R})$$\n",
    "\n",
    "where $\\eta_i$ is the viscosity of the element $i$, $x_i$ is the mole fraction, $S_{ex}$ is the excess entropy, and $R$ is the gas constant.\n",
    "\n",
    "For more details on this model, see \n",
    "\n",
    "1. M.E. Trybula, T. Gancarz, W. Gąsior, *Density, surface tension and viscosity of liquid binary Al-Zn and ternary Al-Li-Zn alloys*, Fluid Phase Equilibria 421 (2016) 39-48, [doi:10.1016/j.fluid.2016.03.013](http://dx.doi.org/10.1016/j.fluid.2016.03.013).\n",
    "\n",
    "2. Władysław Gąsior, *Viscosity modeling of binary alloys: Comparative studies*, Calphad 44 (2014) 119-128, [doi:10.1016/j.calphad.2013.10.007](http://dx.doi.org/10.1016/j.calphad.2013.10.007).\n",
    "\n",
    "3. Chenyang Zhou, Cuiping Guo, Changrong Li, Zhenmin Du, *Thermodynamic assessment of the phase equilibria and prediction of glass-forming ability of the Al–Cu–Zr system*, Journal of Non-Crystalline Solids 461 (2017) 47-60, [doi:10.1016/j.jnoncrysol.2016.09.031](https://doi.org/10.1016/j.jnoncrysol.2016.09.031)."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "from pycalphad import Database"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "## TDB Parameters\n",
    "We can calculate the excess entropy of the liquid using the Al-Cu-Zr thermodynamic database from Zhou et al.\n",
    "\n",
    "We add three new parameters to describe the viscosity (in Pa-s) of the pure elements Al, Cu, and Zr:\n",
    "```\n",
    "   $ Viscosity test parameters\n",
    "   PARAMETER ETA(LIQUID,AL;0) 2.98150E+02  +0.000281*EXP(12300/(8.3145*T));   6.00000E+03   \n",
    "  N REF:0 !\n",
    "   PARAMETER ETA(LIQUID,CU;0) 2.98150E+02  +0.000657*EXP(21500/(8.3145*T));   6.00000E+03   \n",
    "  N REF:0 !\n",
    "  PARAMETER ETA(LIQUID,ZR;0) 2.98150E+02  +4.74E-3 - 4.97E-6*(T-2128) ;   6.00000E+03   \n",
    "    N REF:0 !\n",
    "```\n",
    "\n",
    "Great! However, if we try to load the database now, we will get an error. This is because `ETA` parameters are not supported by default in pycalphad, so we need to tell pycalphad's TDB parser that \"ETA\" should be on the list of supported parameter types."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Failed while parsing:     PARAMETER ETA(LIQUID,AL;0) 2.98150E+02 +0.000281*EXP(12300/(8.3145*T)); 6.00000E+03 N REF:0 \n",
      "Tokens: None\n"
     ]
    },
    {
     "ename": "ParseException",
     "evalue": "Expected {{\"ELEMENT\" W:(ABCD...) [Suppress:(W:(ABCD...))] [Suppress:({Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')}...)] LineEnd} | {\"SPECIES\" W:(ABCD...) [Suppress:(\"%\")] Group:({{W:(ABCD...) [Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')]}}...) [{Suppress:(\"/\") W:(+-01...)}] LineEnd} | {\"TYPE_DEFINITION\" Suppress:(<SP><TAB><CR><LF>) !W:( !) SkipTo:(LineEnd)} | {\"FUNCTION\" W:(ABCD...) {{Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)') | [\",\"]...} {{SkipTo:(\";\") Suppress:(\";\") [Suppress:(\",\")]... [Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')] Suppress:({W:(YNyn) | <SP><TAB><CR><LF>})}}...}} | {\"ASSESSED_SYSTEMS\" SkipTo:(LineEnd)} | {\"DEFINE_SYSTEM_DEFAULT\" SkipTo:(LineEnd)} | {\"DEFAULT_COMMAND\" SkipTo:(LineEnd)} | {\"DATABASE_INFO\" SkipTo:(LineEnd)} | {\"VERSION_DATE\" SkipTo:(LineEnd)} | {\"REFERENCE_FILE\" SkipTo:(LineEnd)} | {\"ADD_REFERENCES\" SkipTo:(LineEnd)} | {\"LIST_OF_REFERENCES\" SkipTo:(LineEnd)} | {\"TEMPERATURE_LIMITS\" SkipTo:(LineEnd)} | {\"PHASE\" W:(ABCD...) Suppress:(<SP><TAB><CR><LF>) !W:( !) Suppress:(<SP><TAB><CR><LF>) Suppress:(W:(0123...)) Group:({Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')}...) LineEnd} | {\"CONSTITUENT\" W:(ABCD...) Suppress:(<SP><TAB><CR><LF>) Suppress:(\":\") Group:(Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...) [: Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...)]...) Suppress:(\":\") LineEnd} | {\"PARAMETER\" {\"BMAGN\" | \"DF\" | \"DQ\" | \"G\" | \"GD\" | \"L\" | \"MF\" | \"MQ\" | \"NT\" | \"TC\" | \"THETA\" | \"V0\" | \"VS\"} Suppress:(\"(\") W:(ABCD...) [{Suppress:(\"&\") W:(ABCD...)}] Suppress:(\",\") Group:(Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...) [: Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...)]...) [{Suppress:(\";\") W:(0123...)}] Suppress:(\")\") {{Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)') | [\",\"]...} {{SkipTo:(\";\") Suppress:(\";\") [Suppress:(\",\")]... [Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')] Suppress:({W:(YNyn) | <SP><TAB><CR><LF>})}}...}}} (at char 17), (line:1, col:18)",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[0;31mParseException\u001b[0m                            Traceback (most recent call last)",
      "\u001b[0;32m<ipython-input-2-d711f4128286>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m\u001b[0m\n\u001b[0;32m----> 1\u001b[0;31m \u001b[0mdbf\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mDatabase\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'alcuzr-viscosity.tdb'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m",
      "\u001b[0;32m~/Projects/pycalphad/pycalphad/io/database.py\u001b[0m in \u001b[0;36m__new__\u001b[0;34m(cls, *args)\u001b[0m\n\u001b[1;32m    127\u001b[0m             \u001b[0;32melif\u001b[0m \u001b[0mfname\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfind\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'\\n'\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m==\u001b[0m \u001b[0;34m-\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    128\u001b[0m                 \u001b[0;31m# Single-line string; it's probably a filename\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 129\u001b[0;31m                 \u001b[0;32mreturn\u001b[0m \u001b[0mcls\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfrom_file\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mfname\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mfmt\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mfmt\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    130\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    131\u001b[0m                 \u001b[0;31m# Newlines found: probably a full database string\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/Projects/pycalphad/pycalphad/io/database.py\u001b[0m in \u001b[0;36mfrom_file\u001b[0;34m(fname, fmt)\u001b[0m\n\u001b[1;32m    221\u001b[0m         \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    222\u001b[0m             \u001b[0mdbf\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mDatabase\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 223\u001b[0;31m             \u001b[0mformat_registry\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mfmt\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlower\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mread\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mdbf\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mfd\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    224\u001b[0m         \u001b[0;32mfinally\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    225\u001b[0m             \u001b[0;31m# Close file descriptors created in this routine\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/Projects/pycalphad/pycalphad/io/tdb.py\u001b[0m in \u001b[0;36mread_tdb\u001b[0;34m(dbf, fd)\u001b[0m\n\u001b[1;32m    913\u001b[0m         \u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;32mNone\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    914\u001b[0m         \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 915\u001b[0;31m             \u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mgrammar\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mparseString\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mcommand\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    916\u001b[0m             \u001b[0m_TDB_PROCESSOR\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mtokens\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mdbf\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0mtokens\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    917\u001b[0m         \u001b[0;32mexcept\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseString\u001b[0;34m(self, instring, parseAll)\u001b[0m\n\u001b[1;32m   1826\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1827\u001b[0m                 \u001b[0;31m# catch and re-raise exception from here, clears out pyparsing internal stack trace\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1828\u001b[0;31m                 \u001b[0;32mraise\u001b[0m \u001b[0mexc\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1829\u001b[0m         \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1830\u001b[0m             \u001b[0;32mreturn\u001b[0m \u001b[0mtokens\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseString\u001b[0;34m(self, instring, parseAll)\u001b[0m\n\u001b[1;32m   1816\u001b[0m             \u001b[0minstring\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mexpandtabs\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1817\u001b[0m         \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1818\u001b[0;31m             \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parse\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;36m0\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1819\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mparseAll\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1820\u001b[0m                 \u001b[0mloc\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpreParse\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1721\u001b[0m                 \u001b[0mParserElement\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpackrat_cache_stats\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mMISS\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m+=\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1722\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1723\u001b[0;31m                     \u001b[0mvalue\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parseNoCache\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mcallPreParse\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1724\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mParseBaseException\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0mpe\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1725\u001b[0m                     \u001b[0;31m# cache a copy of the exception, without the traceback\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseNoCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1560\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmayIndexError\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0mpreloc\u001b[0m \u001b[0;34m>=\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1561\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1562\u001b[0;31m                     \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mparseImpl\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mpreloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1563\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mIndexError\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1564\u001b[0m                     \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseImpl\u001b[0;34m(self, instring, loc, doActions)\u001b[0m\n\u001b[1;32m   3915\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mmaxException\u001b[0m \u001b[0;32mis\u001b[0m \u001b[0;32mnot\u001b[0m \u001b[0;32mNone\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3916\u001b[0m                 \u001b[0mmaxException\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmsg\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3917\u001b[0;31m                 \u001b[0;32mraise\u001b[0m \u001b[0mmaxException\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3918\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3919\u001b[0m                 \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m\"no defined alternatives to match\"\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseImpl\u001b[0;34m(self, instring, loc, doActions)\u001b[0m\n\u001b[1;32m   3900\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0me\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mexprs\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3901\u001b[0m             \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3902\u001b[0;31m                 \u001b[0mret\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0me\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parse\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3903\u001b[0m                 \u001b[0;32mreturn\u001b[0m \u001b[0mret\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3904\u001b[0m             \u001b[0;32mexcept\u001b[0m \u001b[0mParseException\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0merr\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1721\u001b[0m                 \u001b[0mParserElement\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpackrat_cache_stats\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mMISS\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m+=\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1722\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1723\u001b[0;31m                     \u001b[0mvalue\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parseNoCache\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mcallPreParse\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1724\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mParseBaseException\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0mpe\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1725\u001b[0m                     \u001b[0;31m# cache a copy of the exception, without the traceback\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseNoCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1560\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmayIndexError\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0mpreloc\u001b[0m \u001b[0;34m>=\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1561\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1562\u001b[0;31m                     \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mparseImpl\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mpreloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1563\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mIndexError\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1564\u001b[0m                     \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseImpl\u001b[0;34m(self, instring, loc, doActions)\u001b[0m\n\u001b[1;32m   3750\u001b[0m                     \u001b[0;32mraise\u001b[0m \u001b[0mParseSyntaxException\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3751\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3752\u001b[0;31m                 \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mexprtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0me\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parse\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3753\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mexprtokens\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0mexprtokens\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mhaskeys\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3754\u001b[0m                 \u001b[0mresultlist\u001b[0m \u001b[0;34m+=\u001b[0m \u001b[0mexprtokens\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1721\u001b[0m                 \u001b[0mParserElement\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpackrat_cache_stats\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mMISS\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m+=\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1722\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1723\u001b[0;31m                     \u001b[0mvalue\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parseNoCache\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mcallPreParse\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1724\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mParseBaseException\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0mpe\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1725\u001b[0m                     \u001b[0;31m# cache a copy of the exception, without the traceback\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseNoCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1560\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmayIndexError\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0mpreloc\u001b[0m \u001b[0;34m>=\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1561\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1562\u001b[0;31m                     \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mparseImpl\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mpreloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1563\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mIndexError\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1564\u001b[0m                     \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseImpl\u001b[0;34m(self, instring, loc, doActions)\u001b[0m\n\u001b[1;32m   3915\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mmaxException\u001b[0m \u001b[0;32mis\u001b[0m \u001b[0;32mnot\u001b[0m \u001b[0;32mNone\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3916\u001b[0m                 \u001b[0mmaxException\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmsg\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3917\u001b[0;31m                 \u001b[0;32mraise\u001b[0m \u001b[0mmaxException\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3918\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3919\u001b[0m                 \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m\"no defined alternatives to match\"\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36mparseImpl\u001b[0;34m(self, instring, loc, doActions)\u001b[0m\n\u001b[1;32m   3900\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0me\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mexprs\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3901\u001b[0m             \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3902\u001b[0;31m                 \u001b[0mret\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0me\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parse\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3903\u001b[0m                 \u001b[0;32mreturn\u001b[0m \u001b[0mret\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3904\u001b[0m             \u001b[0;32mexcept\u001b[0m \u001b[0mParseException\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0merr\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1721\u001b[0m                 \u001b[0mParserElement\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpackrat_cache_stats\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mMISS\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m+=\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1722\u001b[0m                 \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1723\u001b[0;31m                     \u001b[0mvalue\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_parseNoCache\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mcallPreParse\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1724\u001b[0m                 \u001b[0;32mexcept\u001b[0m \u001b[0mParseBaseException\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0mpe\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1725\u001b[0m                     \u001b[0;31m# cache a copy of the exception, without the traceback\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/anaconda3/envs/calphad-dev/lib/python3.6/site-packages/pyparsing.py\u001b[0m in \u001b[0;36m_parseNoCache\u001b[0;34m(self, instring, loc, doActions, callPreParse)\u001b[0m\n\u001b[1;32m   1564\u001b[0m                     \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1565\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1566\u001b[0;31m                 \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mparseImpl\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mpreloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdoActions\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1567\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1568\u001b[0m         \u001b[0mtokens\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpostParse\u001b[0m\u001b[0;34m(\u001b[0m \u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mtokens\u001b[0m \u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m~/Projects/pycalphad/pycalphad/io/tdb.py\u001b[0m in \u001b[0;36mparseImpl\u001b[0;34m(self, instring, loc, doActions)\u001b[0m\n\u001b[1;32m    174\u001b[0m         \u001b[0;32mexcept\u001b[0m \u001b[0mValueError\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    175\u001b[0m             \u001b[0;32mpass\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 176\u001b[0;31m         \u001b[0;32mraise\u001b[0m \u001b[0mParseException\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minstring\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mloc\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0merrmsg\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    177\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    178\u001b[0m \u001b[0;32mdef\u001b[0m \u001b[0m_tdb_grammar\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m \u001b[0;31m#pylint: disable=R0914\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mParseException\u001b[0m: Expected {{\"ELEMENT\" W:(ABCD...) [Suppress:(W:(ABCD...))] [Suppress:({Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')}...)] LineEnd} | {\"SPECIES\" W:(ABCD...) [Suppress:(\"%\")] Group:({{W:(ABCD...) [Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')]}}...) [{Suppress:(\"/\") W:(+-01...)}] LineEnd} | {\"TYPE_DEFINITION\" Suppress:(<SP><TAB><CR><LF>) !W:( !) SkipTo:(LineEnd)} | {\"FUNCTION\" W:(ABCD...) {{Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)') | [\",\"]...} {{SkipTo:(\";\") Suppress:(\";\") [Suppress:(\",\")]... [Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')] Suppress:({W:(YNyn) | <SP><TAB><CR><LF>})}}...}} | {\"ASSESSED_SYSTEMS\" SkipTo:(LineEnd)} | {\"DEFINE_SYSTEM_DEFAULT\" SkipTo:(LineEnd)} | {\"DEFAULT_COMMAND\" SkipTo:(LineEnd)} | {\"DATABASE_INFO\" SkipTo:(LineEnd)} | {\"VERSION_DATE\" SkipTo:(LineEnd)} | {\"REFERENCE_FILE\" SkipTo:(LineEnd)} | {\"ADD_REFERENCES\" SkipTo:(LineEnd)} | {\"LIST_OF_REFERENCES\" SkipTo:(LineEnd)} | {\"TEMPERATURE_LIMITS\" SkipTo:(LineEnd)} | {\"PHASE\" W:(ABCD...) Suppress:(<SP><TAB><CR><LF>) !W:( !) Suppress:(<SP><TAB><CR><LF>) Suppress:(W:(0123...)) Group:({Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')}...) LineEnd} | {\"CONSTITUENT\" W:(ABCD...) Suppress:(<SP><TAB><CR><LF>) Suppress:(\":\") Group:(Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...) [: Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...)]...) Suppress:(\":\") LineEnd} | {\"PARAMETER\" {\"BMAGN\" | \"DF\" | \"DQ\" | \"G\" | \"GD\" | \"L\" | \"MF\" | \"MQ\" | \"NT\" | \"TC\" | \"THETA\" | \"V0\" | \"VS\"} Suppress:(\"(\") W:(ABCD...) [{Suppress:(\"&\") W:(ABCD...)}] Suppress:(\",\") Group:(Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...) [: Group:({{[Suppress:(\",\")] {W:(ABCD...) [Suppress:(\"%\")]}}}...)]...) [{Suppress:(\";\") W:(0123...)}] Suppress:(\")\") {{Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)') | [\",\"]...} {{SkipTo:(\";\") Suppress:(\";\") [Suppress:(\",\")]... [Re:('[-+]?([0-9]+\\\\.(?!([0-9]|[eE])))|([0-9]*\\\\.?[0-9]+([eE][-+]?[0-9]+)?)')] Suppress:({W:(YNyn) | <SP><TAB><CR><LF>})}}...}}} (at char 17), (line:1, col:18)"
     ]
    }
   ],
   "source": [
    "dbf = Database('alcuzr-viscosity.tdb')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Adding the `ETA` parameter to the TDB parser "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "import pycalphad.io.tdb_keywords\n",
    "pycalphad.io.tdb_keywords.TDB_PARAM_TYPES.append('ETA')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "Now the database will load:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "dbf = Database('alcuzr-viscosity.tdb')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "## Writing the Custom Viscosity Model\n",
    "\n",
    "Now that we have our `ETA` parameters in the database, we need to write a `Model` class to tell pycalphad how to compute viscosity. All custom models are subclasses of the pycalphad `Model` class.\n",
    "\n",
    "When the `ViscosityModel` is constructed, the `build_phase` method is run and we need to construct the viscosity model after doing all the other initialization using a new method `build_viscosity`. The implementation of `build_viscosity` needs to do four things:\n",
    "1. Query the Database for all the `ETA` parameters\n",
    "2. Compute their weighted sum\n",
    "3. Compute the excess entropy of the liquid\n",
    "4. Plug all the values into the Gąsior equation and return the result\n",
    "\n",
    "Since the `build_phase` method sets the attribute `viscosity` to the `ViscosityModel`, we can access the property using `viscosity` as the output in pycalphad caluclations."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "from tinydb import where\n",
    "import sympy\n",
    "from pycalphad import Model, variables as v\n",
    "\n",
    "class ViscosityModel(Model):\n",
    "    def build_phase(self, dbe):\n",
    "        super(ViscosityModel, self).build_phase(dbe)\n",
    "        self.viscosity = self.build_viscosity(dbe)\n",
    "\n",
    "    def build_viscosity(self, dbe):\n",
    "        if self.phase_name != 'LIQUID':\n",
    "            raise ValueError('Viscosity is only defined for LIQUID phase')\n",
    "        phase = dbe.phases[self.phase_name]\n",
    "        param_search = dbe.search\n",
    "        # STEP 1\n",
    "        eta_param_query = (\n",
    "            (where('phase_name') == phase.name) & \\\n",
    "            (where('parameter_type') == 'ETA') & \\\n",
    "            (where('constituent_array').test(self._array_validity))\n",
    "        )\n",
    "        # STEP 2\n",
    "        eta = self.redlich_kister_sum(phase, param_search, eta_param_query)\n",
    "        # STEP 3\n",
    "        excess_energy = self.GM - self.models['ref'] - self.models['idmix']\n",
    "        #liquid_mod = Model(dbe, self.components, self.phase_name)\n",
    "        ## we only want the excess contributions to the entropy\n",
    "        #del liquid_mod.models['ref']\n",
    "        #del liquid_mod.models['idmix']\n",
    "        excess_entropy = -excess_energy.diff(v.T)\n",
    "        ks = 2\n",
    "        # STEP 4\n",
    "        result = eta * (1 - ks * excess_entropy / v.R)\n",
    "        self.eta = eta\n",
    "        return result"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "## Performing Calculations\n",
    "\n",
    "Now we can create an instance of `ViscosityModel` for the liquid phase using the `Database` object we created earlier. We can verify this model has a `viscosity` attribute containing a symbolic expression for the viscosity."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(1 + 0.240543628600637*(LIQUID0CU*LIQUID0ZR*(LIQUID0CU - LIQUID0ZR)**3*Piecewise((105.895 - 13.6488*log(T), (T >= 298.15) & (T < 6000.0)), (0, True)) + LIQUID0CU*LIQUID0ZR*(LIQUID0CU - LIQUID0ZR)**2*Piecewise((36.8512*log(T) - 270.5305, (T >= 298.15) & (T < 6000.0)), (0, True)) + LIQUID0CU*LIQUID0ZR*(LIQUID0CU - LIQUID0ZR)*Piecewise((75.3798 - 9.6125*log(T), (T >= 298.15) & (T < 6000.0)), (0, True)) + LIQUID0CU*LIQUID0ZR*Piecewise((392.8485 - 51.3121*log(T), (T >= 298.15) & (T < 6000.0)), (0, True)))/(1.0*LIQUID0CU + 1.0*LIQUID0ZR))*(LIQUID0CU*Piecewise((0.000657*exp(2585.84400745685/T), (T >= 298.15) & (T < 6000.0)), (0, True)) + LIQUID0ZR*Piecewise((0.01531616 - 4.97e-6*T, (T >= 298.15) & (T < 6000.0)), (0, True)))\n"
     ]
    }
   ],
   "source": [
    "mod = ViscosityModel(dbf, ['CU', 'ZR'], 'LIQUID')\n",
    "print(mod.viscosity)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "Finally we calculate and plot the viscosity."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x432 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "%matplotlib inline\n",
    "import matplotlib.pyplot as plt\n",
    "import numpy as np\n",
    "from pycalphad import calculate\n",
    "\n",
    "mod = ViscosityModel(dbf, ['CU', 'ZR'], 'LIQUID')\n",
    "\n",
    "temp = 2100\n",
    "# NOTICE: we need to tell pycalphad about our model for this phase\n",
    "models = {'LIQUID': mod}\n",
    "res = calculate(dbf, ['CU', 'ZR'], 'LIQUID', P=101325, T=temp, model=models, output='viscosity') \n",
    "\n",
    "fig = plt.figure(figsize=(6,6))\n",
    "ax = fig.gca()\n",
    "ax.scatter(res.X.sel(component='ZR'), 1000 * res.viscosity.values)\n",
    "ax.set_xlabel('X(ZR)')\n",
    "ax.set_ylabel('Viscosity (mPa-s)')\n",
    "ax.set_xlim((0,1))\n",
    "ax.set_title('Viscosity at {}K'.format(temp));"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "We repeat the calculation for Al-Cu."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x432 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "%matplotlib inline\n",
    "import matplotlib.pyplot as plt\n",
    "import numpy as np\n",
    "from pycalphad import calculate\n",
    "\n",
    "temp = 1300\n",
    "models = {'LIQUID': ViscosityModel}  # we can also use Model class\n",
    "res = calculate(dbf, ['CU', 'AL'], 'LIQUID', P=101325, T=temp, model=models, output='viscosity')\n",
    "\n",
    "fig = plt.figure(figsize=(6,6))\n",
    "ax = fig.gca()\n",
    "ax.scatter(res.X.sel(component='CU'), 1000 * res.viscosity.values)\n",
    "ax.set_xlabel('X(CU)')\n",
    "ax.set_ylabel('Viscosity (mPa-s)')\n",
    "ax.set_xlim((0,1))\n",
    "ax.set_title('Viscosity at {}K'.format(temp));"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python [conda env:calphad-dev]",
   "language": "python",
   "name": "conda-env-calphad-dev-py"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.6.7"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}