{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "61811860-f92d-45db-97c3-554144104e89",
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "import pandas as pd\n",
    "import sys\n",
    "sys.path.append(\"..\")\n",
    "import matplotlib.pyplot as plt\n",
    "import Thermobar as pt\n",
    "import sympy as sym\n",
    "pd.options.display.max_columns = None"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "90c15114-a7e8-4fc8-8f2b-cf07a5a552cf",
   "metadata": {},
   "outputs": [],
   "source": [
    "LiqT=pd.DataFrame(data={\"SiO2_Liq\": 51,\n",
    "                            \"TiO2_Liq\": 0.48,\n",
    "                            \"Al2O3_Liq\": 19,\n",
    "                            \"FeOt_Liq\": 5.3,\n",
    "                            \"MnO_Liq\": 0.1,\n",
    "                            \"MgO_Liq\": 4.5,\n",
    "                            \"CaO_Liq\": 9,\n",
    "                            \"Na2O_Liq\": 4.2,\n",
    "                            \"K2O_Liq\": 0.1,\n",
    "                            \"Cr2O3_Liq\": 0.11,\n",
    "                            \"P2O5_Liq\": 0.11,\n",
    "                            \"H2O_Liq\": 5,\n",
    " \"Fe3Fet_Liq\":0.1,\n",
    "}, index=[0])\n",
    "\n",
    "OpxT=pd.DataFrame(data={\"SiO2_Opx\": 55,\n",
    "                            \"TiO2_Opx\": 0.34,\n",
    "                            \"Al2O3_Opx\": 1.5,\n",
    "                            \"FeOt_Opx\": 11.3,\n",
    "                            \"MnO_Opx\": 0.24,\n",
    "                            \"MgO_Opx\": 30.7,\n",
    "                            \"CaO_Opx\": 0.9,\n",
    "                            \"Na2O_Opx\": 0.01,\n",
    "                            \"K2O_Opx\": 0,\n",
    "                            \"Cr2O3_Opx\": 0.19}, index=[0])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "3a223b21-f075-494b-945c-042e88e32764",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "a2dfd7fa-b914-44e8-845a-53aff1f9c636",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    0.631893\n",
       "dtype: float64"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_only_press(opx_comps=OpxT, equationP=\"P_Put2008_eq29c\",\n",
    "         T=1300)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ce440006-a7bd-40d2-b3f8-240a1b34f1b4",
   "metadata": {},
   "source": [
    "## Opx=liq test"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "e6d590f9-2415-49a6-b62c-815f329adb7a",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    1344.331255\n",
       "dtype: float64"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_temp(opx_comps=OpxT, liq_comps=LiqT, \n",
    "                          equationT=\"T_Put2008_eq28b_opx_sat\", P=5)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "7a95f504-7a9e-4283-b9d9-70706cd58e04",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0   -21.129189\n",
       "dtype: float64"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press(opx_comps=OpxT, liq_comps=LiqT, equationP=\"P_Put2008_eq29b\", T=800)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "1c1bfa9b-979f-49c2-9509-a41c3b32e0a3",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0   -25.049189\n",
       "dtype: float64"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press(opx_comps=OpxT, liq_comps=LiqT, equationP=\"P_Put2008_eq29b\", T=800, H2O_Liq=0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "eb1e432e-1821-4e67-a00e-3c945151ec07",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a T-independent function\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "0    1.810153\n",
       "dtype: float64"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press(opx_comps=OpxT, liq_comps=LiqT, equationP=\"P_Put_Global_Opx\", T=1300)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "4ec711a9-780d-4be1-a188-f2b14b7b7b41",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a T-independent function\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
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       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SiO2_Liq</th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>eq_tests_Kd_Fe_Mg_Fet</th>\n",
       "      <th>eq_tests_Kd_Fe_Mg_Fe2</th>\n",
       "      <th>Kd Eq (Put2008+-0.06)</th>\n",
       "      <th>TiO2_Liq</th>\n",
       "      <th>Al2O3_Liq</th>\n",
       "      <th>FeOt_Liq</th>\n",
       "      <th>MnO_Liq</th>\n",
       "      <th>MgO_Liq</th>\n",
       "      <th>CaO_Liq</th>\n",
       "      <th>Na2O_Liq</th>\n",
       "      <th>K2O_Liq</th>\n",
       "      <th>Cr2O3_Liq</th>\n",
       "      <th>P2O5_Liq</th>\n",
       "      <th>H2O_Liq</th>\n",
       "      <th>Fe3Fet_Liq</th>\n",
       "      <th>SiO2_Liq_mol_frac</th>\n",
       "      <th>MgO_Liq_mol_frac</th>\n",
       "      <th>MnO_Liq_mol_frac</th>\n",
       "      <th>FeOt_Liq_mol_frac</th>\n",
       "      <th>CaO_Liq_mol_frac</th>\n",
       "      <th>Al2O3_Liq_mol_frac</th>\n",
       "      <th>Na2O_Liq_mol_frac</th>\n",
       "      <th>K2O_Liq_mol_frac</th>\n",
       "      <th>TiO2_Liq_mol_frac</th>\n",
       "      <th>P2O5_Liq_mol_frac</th>\n",
       "      <th>Cr2O3_Liq_mol_frac</th>\n",
       "      <th>Si_Liq_cat_frac</th>\n",
       "      <th>Mg_Liq_cat_frac</th>\n",
       "      <th>Mn_Liq_cat_frac</th>\n",
       "      <th>Fet_Liq_cat_frac</th>\n",
       "      <th>Ca_Liq_cat_frac</th>\n",
       "      <th>Al_Liq_cat_frac</th>\n",
       "      <th>Na_Liq_cat_frac</th>\n",
       "      <th>K_Liq_cat_frac</th>\n",
       "      <th>Ti_Liq_cat_frac</th>\n",
       "      <th>P_Liq_cat_frac</th>\n",
       "      <th>Cr_Liq_cat_frac</th>\n",
       "      <th>Mg_Number_Liq_NoFe3</th>\n",
       "      <th>Mg_Number_Liq_Fe3</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>ln_Fm2Si2O6_liq</th>\n",
       "      <th>ln_FmAl2SiO6_liq</th>\n",
       "      <th>Kd_Fe_Mg_Fet</th>\n",
       "      <th>Kd_Fe_Mg_Fe2</th>\n",
       "      <th>Ideal_Kd</th>\n",
       "      <th>Delta_Kd_Fe_Mg_Fe2</th>\n",
       "      <th>Mgno_Liq_noFe3</th>\n",
       "      <th>Mgno_Liq_Fe2</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>51</td>\n",
       "      <td>1.810153</td>\n",
       "      <td>0.312519</td>\n",
       "      <td>0.347244</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.48</td>\n",
       "      <td>19</td>\n",
       "      <td>5.3</td>\n",
       "      <td>0.1</td>\n",
       "      <td>4.5</td>\n",
       "      <td>9</td>\n",
       "      <td>4.2</td>\n",
       "      <td>0.1</td>\n",
       "      <td>0.11</td>\n",
       "      <td>0.11</td>\n",
       "      <td>5</td>\n",
       "      <td>0.1</td>\n",
       "      <td>0.58185</td>\n",
       "      <td>0.076535</td>\n",
       "      <td>0.000966</td>\n",
       "      <td>0.050568</td>\n",
       "      <td>0.110016</td>\n",
       "      <td>0.127738</td>\n",
       "      <td>0.046452</td>\n",
       "      <td>0.000728</td>\n",
       "      <td>0.004119</td>\n",
       "      <td>0.000531</td>\n",
       "      <td>0.000496</td>\n",
       "      <td>0.494793</td>\n",
       "      <td>0.065084</td>\n",
       "      <td>0.000822</td>\n",
       "      <td>0.043002</td>\n",
       "      <td>0.093555</td>\n",
       "      <td>0.217252</td>\n",
       "      <td>0.079004</td>\n",
       "      <td>0.001238</td>\n",
       "      <td>0.003503</td>\n",
       "      <td>0.000904</td>\n",
       "      <td>0.000844</td>\n",
       "      <td>0.602144</td>\n",
       "      <td>0.627093</td>\n",
       "      <td>55</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.5</td>\n",
       "      <td>11.3</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.7</td>\n",
       "      <td>0.9</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.00614</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.82885</td>\n",
       "      <td>5.798439</td>\n",
       "      <td>-2.855529</td>\n",
       "      <td>0.312519</td>\n",
       "      <td>0.347244</td>\n",
       "      <td>0.295794</td>\n",
       "      <td>0.05145</td>\n",
       "      <td>0.602144</td>\n",
       "      <td>0.627093</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Liq  P_kbar_calc  eq_tests_Kd_Fe_Mg_Fet  eq_tests_Kd_Fe_Mg_Fe2  \\\n",
       "0        51     1.810153               0.312519               0.347244   \n",
       "\n",
       "  Kd Eq (Put2008+-0.06)  TiO2_Liq  Al2O3_Liq  FeOt_Liq  MnO_Liq  MgO_Liq  \\\n",
       "0                     Y      0.48         19       5.3      0.1      4.5   \n",
       "\n",
       "   CaO_Liq  Na2O_Liq  K2O_Liq  Cr2O3_Liq  P2O5_Liq  H2O_Liq  Fe3Fet_Liq  \\\n",
       "0        9       4.2      0.1       0.11      0.11        5         0.1   \n",
       "\n",
       "   SiO2_Liq_mol_frac  MgO_Liq_mol_frac  MnO_Liq_mol_frac  FeOt_Liq_mol_frac  \\\n",
       "0            0.58185          0.076535          0.000966           0.050568   \n",
       "\n",
       "   CaO_Liq_mol_frac  Al2O3_Liq_mol_frac  Na2O_Liq_mol_frac  K2O_Liq_mol_frac  \\\n",
       "0          0.110016            0.127738           0.046452          0.000728   \n",
       "\n",
       "   TiO2_Liq_mol_frac  P2O5_Liq_mol_frac  Cr2O3_Liq_mol_frac  Si_Liq_cat_frac  \\\n",
       "0           0.004119           0.000531            0.000496         0.494793   \n",
       "\n",
       "   Mg_Liq_cat_frac  Mn_Liq_cat_frac  Fet_Liq_cat_frac  Ca_Liq_cat_frac  \\\n",
       "0         0.065084         0.000822          0.043002         0.093555   \n",
       "\n",
       "   Al_Liq_cat_frac  Na_Liq_cat_frac  K_Liq_cat_frac  Ti_Liq_cat_frac  \\\n",
       "0         0.217252         0.079004        0.001238         0.003503   \n",
       "\n",
       "   P_Liq_cat_frac  Cr_Liq_cat_frac  Mg_Number_Liq_NoFe3  Mg_Number_Liq_Fe3  \\\n",
       "0        0.000904         0.000844             0.602144           0.627093   \n",
       "\n",
       "   SiO2_Opx  TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  \\\n",
       "0        55      0.34        1.5      11.3     0.24     30.7      0.9   \n",
       "\n",
       "   Na2O_Opx  K2O_Opx  Cr2O3_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0      0.01        0       0.19        1.943665        1.617356   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335            0.00614   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142   0.82885   \n",
       "\n",
       "   ln_Fm2Si2O6_liq  ln_FmAl2SiO6_liq  Kd_Fe_Mg_Fet  Kd_Fe_Mg_Fe2  Ideal_Kd  \\\n",
       "0         5.798439         -2.855529      0.312519      0.347244  0.295794   \n",
       "\n",
       "   Delta_Kd_Fe_Mg_Fe2  Mgno_Liq_noFe3  Mgno_Liq_Fe2  \n",
       "0             0.05145        0.602144      0.627093  "
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press(opx_comps=OpxT, liq_comps=LiqT, equationP=\"P_Put_Global_Opx\", T=1300, eq_tests=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "1f907897-09dc-4ed4-bf70-846515bb496b",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a T-independent function\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
     "data": {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SiO2_Liq</th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>eq_tests_Kd_Fe_Mg_Fet</th>\n",
       "      <th>eq_tests_Kd_Fe_Mg_Fe2</th>\n",
       "      <th>Kd Eq (Put2008+-0.06)</th>\n",
       "      <th>TiO2_Liq</th>\n",
       "      <th>Al2O3_Liq</th>\n",
       "      <th>FeOt_Liq</th>\n",
       "      <th>MnO_Liq</th>\n",
       "      <th>MgO_Liq</th>\n",
       "      <th>CaO_Liq</th>\n",
       "      <th>Na2O_Liq</th>\n",
       "      <th>K2O_Liq</th>\n",
       "      <th>Cr2O3_Liq</th>\n",
       "      <th>P2O5_Liq</th>\n",
       "      <th>H2O_Liq</th>\n",
       "      <th>Fe3Fet_Liq</th>\n",
       "      <th>SiO2_Liq_mol_frac</th>\n",
       "      <th>MgO_Liq_mol_frac</th>\n",
       "      <th>MnO_Liq_mol_frac</th>\n",
       "      <th>FeOt_Liq_mol_frac</th>\n",
       "      <th>CaO_Liq_mol_frac</th>\n",
       "      <th>Al2O3_Liq_mol_frac</th>\n",
       "      <th>Na2O_Liq_mol_frac</th>\n",
       "      <th>K2O_Liq_mol_frac</th>\n",
       "      <th>TiO2_Liq_mol_frac</th>\n",
       "      <th>P2O5_Liq_mol_frac</th>\n",
       "      <th>Cr2O3_Liq_mol_frac</th>\n",
       "      <th>Si_Liq_cat_frac</th>\n",
       "      <th>Mg_Liq_cat_frac</th>\n",
       "      <th>Mn_Liq_cat_frac</th>\n",
       "      <th>Fet_Liq_cat_frac</th>\n",
       "      <th>Ca_Liq_cat_frac</th>\n",
       "      <th>Al_Liq_cat_frac</th>\n",
       "      <th>Na_Liq_cat_frac</th>\n",
       "      <th>K_Liq_cat_frac</th>\n",
       "      <th>Ti_Liq_cat_frac</th>\n",
       "      <th>P_Liq_cat_frac</th>\n",
       "      <th>Cr_Liq_cat_frac</th>\n",
       "      <th>Mg_Number_Liq_NoFe3</th>\n",
       "      <th>Mg_Number_Liq_Fe3</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>ln_Fm2Si2O6_liq</th>\n",
       "      <th>ln_FmAl2SiO6_liq</th>\n",
       "      <th>Kd_Fe_Mg_Fet</th>\n",
       "      <th>Kd_Fe_Mg_Fe2</th>\n",
       "      <th>Ideal_Kd</th>\n",
       "      <th>Delta_Kd_Fe_Mg_Fe2</th>\n",
       "      <th>Mgno_Liq_noFe3</th>\n",
       "      <th>Mgno_Liq_Fe2</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>51</td>\n",
       "      <td>1.810153</td>\n",
       "      <td>0.312519</td>\n",
       "      <td>0.781298</td>\n",
       "      <td>N</td>\n",
       "      <td>0.48</td>\n",
       "      <td>19</td>\n",
       "      <td>5.3</td>\n",
       "      <td>0.1</td>\n",
       "      <td>4.5</td>\n",
       "      <td>9</td>\n",
       "      <td>4.2</td>\n",
       "      <td>0.1</td>\n",
       "      <td>0.11</td>\n",
       "      <td>0.11</td>\n",
       "      <td>5</td>\n",
       "      <td>0.6</td>\n",
       "      <td>0.58185</td>\n",
       "      <td>0.076535</td>\n",
       "      <td>0.000966</td>\n",
       "      <td>0.050568</td>\n",
       "      <td>0.110016</td>\n",
       "      <td>0.127738</td>\n",
       "      <td>0.046452</td>\n",
       "      <td>0.000728</td>\n",
       "      <td>0.004119</td>\n",
       "      <td>0.000531</td>\n",
       "      <td>0.000496</td>\n",
       "      <td>0.494793</td>\n",
       "      <td>0.065084</td>\n",
       "      <td>0.000822</td>\n",
       "      <td>0.043002</td>\n",
       "      <td>0.093555</td>\n",
       "      <td>0.217252</td>\n",
       "      <td>0.079004</td>\n",
       "      <td>0.001238</td>\n",
       "      <td>0.003503</td>\n",
       "      <td>0.000904</td>\n",
       "      <td>0.000844</td>\n",
       "      <td>0.602144</td>\n",
       "      <td>0.790956</td>\n",
       "      <td>55</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.5</td>\n",
       "      <td>11.3</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.7</td>\n",
       "      <td>0.9</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.00614</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.82885</td>\n",
       "      <td>5.798439</td>\n",
       "      <td>-2.855529</td>\n",
       "      <td>0.312519</td>\n",
       "      <td>0.781298</td>\n",
       "      <td>0.295794</td>\n",
       "      <td>0.485504</td>\n",
       "      <td>0.602144</td>\n",
       "      <td>0.790956</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Liq  P_kbar_calc  eq_tests_Kd_Fe_Mg_Fet  eq_tests_Kd_Fe_Mg_Fe2  \\\n",
       "0        51     1.810153               0.312519               0.781298   \n",
       "\n",
       "  Kd Eq (Put2008+-0.06)  TiO2_Liq  Al2O3_Liq  FeOt_Liq  MnO_Liq  MgO_Liq  \\\n",
       "0                     N      0.48         19       5.3      0.1      4.5   \n",
       "\n",
       "   CaO_Liq  Na2O_Liq  K2O_Liq  Cr2O3_Liq  P2O5_Liq  H2O_Liq  Fe3Fet_Liq  \\\n",
       "0        9       4.2      0.1       0.11      0.11        5         0.6   \n",
       "\n",
       "   SiO2_Liq_mol_frac  MgO_Liq_mol_frac  MnO_Liq_mol_frac  FeOt_Liq_mol_frac  \\\n",
       "0            0.58185          0.076535          0.000966           0.050568   \n",
       "\n",
       "   CaO_Liq_mol_frac  Al2O3_Liq_mol_frac  Na2O_Liq_mol_frac  K2O_Liq_mol_frac  \\\n",
       "0          0.110016            0.127738           0.046452          0.000728   \n",
       "\n",
       "   TiO2_Liq_mol_frac  P2O5_Liq_mol_frac  Cr2O3_Liq_mol_frac  Si_Liq_cat_frac  \\\n",
       "0           0.004119           0.000531            0.000496         0.494793   \n",
       "\n",
       "   Mg_Liq_cat_frac  Mn_Liq_cat_frac  Fet_Liq_cat_frac  Ca_Liq_cat_frac  \\\n",
       "0         0.065084         0.000822          0.043002         0.093555   \n",
       "\n",
       "   Al_Liq_cat_frac  Na_Liq_cat_frac  K_Liq_cat_frac  Ti_Liq_cat_frac  \\\n",
       "0         0.217252         0.079004        0.001238         0.003503   \n",
       "\n",
       "   P_Liq_cat_frac  Cr_Liq_cat_frac  Mg_Number_Liq_NoFe3  Mg_Number_Liq_Fe3  \\\n",
       "0        0.000904         0.000844             0.602144           0.790956   \n",
       "\n",
       "   SiO2_Opx  TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  \\\n",
       "0        55      0.34        1.5      11.3     0.24     30.7      0.9   \n",
       "\n",
       "   Na2O_Opx  K2O_Opx  Cr2O3_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0      0.01        0       0.19        1.943665        1.617356   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335            0.00614   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142   0.82885   \n",
       "\n",
       "   ln_Fm2Si2O6_liq  ln_FmAl2SiO6_liq  Kd_Fe_Mg_Fet  Kd_Fe_Mg_Fe2  Ideal_Kd  \\\n",
       "0         5.798439         -2.855529      0.312519      0.781298  0.295794   \n",
       "\n",
       "   Delta_Kd_Fe_Mg_Fe2  Mgno_Liq_noFe3  Mgno_Liq_Fe2  \n",
       "0            0.485504        0.602144      0.790956  "
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press(opx_comps=OpxT, liq_comps=LiqT, \n",
    "                           equationP=\"P_Put_Global_Opx\", T=1300, eq_tests=True, Fe3Fet_Liq=0.6)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "36b29e7d-0bcf-4924-b278-b30d8492e386",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a T-independent function\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "\n",
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       "\n",
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>T_K_calc</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1.810153</td>\n",
       "      <td>1305.385773</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc\n",
       "0     1.810153  1305.385773"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press_temp(opx_comps=OpxT,\n",
    "       liq_comps=LiqT, equationP=\"P_Put_Global_Opx\", equationT=\"T_Put2008_eq28a\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "b5933fcd-5cc3-446a-9985-01d4320e3b7b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
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       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>T_K_calc</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>2.568279</td>\n",
       "      <td>1308.050269</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc\n",
       "0     2.568279  1308.050269"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press_temp(opx_comps=OpxT,\n",
    "       liq_comps=LiqT, equationP=\"P_Put2008_eq29a\", equationT=\"T_Put2008_eq28a\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "4e1cbd55-d0f1-4da5-b3cb-69e34a9348e7",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "\n",
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       "    }\n",
       "\n",
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       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>T_K_calc</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>-0.593182</td>\n",
       "      <td>1364.045732</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc\n",
       "0    -0.593182  1364.045732"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_liq_press_temp(opx_comps=OpxT,\n",
    "       liq_comps=LiqT, equationP=\"P_Put2008_eq29a\", equationT=\"T_Put2008_eq28a\", H2O_Liq=0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "47d67d66-45f9-40a6-9b8f-baf7e154eb02",
   "metadata": {},
   "outputs": [],
   "source": [
    "Liq2=pd.DataFrame(data={\"Sample_ID_Liq\": 'test',\n",
    "                        \"SiO2_Liq\": 51.1,\n",
    "                            \"TiO2_Liq\": 0.93,\n",
    "                            \"Al2O3_Liq\": 17.5,\n",
    "                            \"FeOt_Liq\": 8.91,\n",
    "                            \"MnO_Liq\": 0.18,\n",
    "                            \"MgO_Liq\": 6.09,\n",
    "                            \"CaO_Liq\": 11.50,\n",
    "                            \"Na2O_Liq\": 3.53,\n",
    "                            \"K2O_Liq\": 0.17,\n",
    "                            \"Cr2O3_Liq\": 0,\n",
    "                            \"P2O5_Liq\": 0.15,\n",
    "                            \"H2O_Liq\": 3.8,\n",
    "                            \"Fe3Fet_Liq\":0}, index=[0])\n",
    "\n",
    "Opx2=pd.DataFrame(data={\"Sample_ID_Opx\": 'test',\n",
    "                        \"SiO2_Opx\": 55.00,\n",
    "                            \"TiO2_Opx\": 0.34,\n",
    "                            \"Al2O3_Opx\": 1.50,\n",
    "                            \"FeOt_Opx\": 11.30,\n",
    "                            \"MnO_Opx\": 0.24,\n",
    "                            \"MgO_Opx\": 30.70,\n",
    "                            \"CaO_Opx\": 0.90,\n",
    "                            \"Na2O_Opx\": 0.01,\n",
    "                            \"K2O_Opx\": 0,\n",
    "                            \"Cr2O3_Opx\": 0.19}, index=[0])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "0ebd2df7-7243-466e-9f5b-f21335265e06",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Considering 1 Liq-Opx pairs, be patient if this is >>1 million!\n",
      "got here 1\n",
      "got here 2\n",
      "  P_kbar_calc     T_K_calc\n",
      "0    3.327589  1384.287957\n",
      "Finished calculating Ps and Ts, now just averaging the results. Almost there!\n",
      "Finished!\n"
     ]
    }
   ],
   "source": [
    "a=pt.calculate_opx_liq_press_temp_matching(liq_comps=Liq2, opx_comps=Opx2, \n",
    "                                           equationP=\"P_Put2008_eq29a\", \n",
    "                                equationT=\"T_Put2008_eq28a\", return_all_pairs=False)\n",
    "test=a.get(\"All_PTs\")\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "41f5d760-b3fc-4702-af64-cbc004d41324",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mg#_Liq</th>\n",
       "      <th>Eq_Opx_Mg# (Kd=0.23)</th>\n",
       "      <th>Eq_Opx_Mg# (Kd=0.29)</th>\n",
       "      <th>Eq_Opx_Mg# (Kd=0.35)</th>\n",
       "      <th>Kd_XSi_P2008</th>\n",
       "      <th>Eq_Opx_Mg# (Kd_XSi_P2008)</th>\n",
       "      <th>Eq_Opx_Mg# (Kd_XSi_P2008)+0.06</th>\n",
       "      <th>Eq_Opx_Mg# (Kd_XSi_P2008)-0.06</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.743494</td>\n",
       "      <td>0.696864</td>\n",
       "      <td>0.655738</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.686193</td>\n",
       "      <td>0.646281</td>\n",
       "      <td>0.731360</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>0.403030</td>\n",
       "      <td>0.745892</td>\n",
       "      <td>0.699521</td>\n",
       "      <td>0.658579</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.688902</td>\n",
       "      <td>0.649158</td>\n",
       "      <td>0.733831</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>0.406061</td>\n",
       "      <td>0.748269</td>\n",
       "      <td>0.702159</td>\n",
       "      <td>0.661402</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.691592</td>\n",
       "      <td>0.652018</td>\n",
       "      <td>0.736280</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>0.409091</td>\n",
       "      <td>0.750626</td>\n",
       "      <td>0.704777</td>\n",
       "      <td>0.664207</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.694262</td>\n",
       "      <td>0.654860</td>\n",
       "      <td>0.738710</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>0.412121</td>\n",
       "      <td>0.752962</td>\n",
       "      <td>0.707375</td>\n",
       "      <td>0.666994</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.696914</td>\n",
       "      <td>0.657684</td>\n",
       "      <td>0.741120</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>95</th>\n",
       "      <td>0.687879</td>\n",
       "      <td>0.905501</td>\n",
       "      <td>0.883715</td>\n",
       "      <td>0.862954</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.878475</td>\n",
       "      <td>0.857956</td>\n",
       "      <td>0.900000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>96</th>\n",
       "      <td>0.690909</td>\n",
       "      <td>0.906705</td>\n",
       "      <td>0.885162</td>\n",
       "      <td>0.864619</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.879978</td>\n",
       "      <td>0.859672</td>\n",
       "      <td>0.901266</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>97</th>\n",
       "      <td>0.693939</td>\n",
       "      <td>0.907902</td>\n",
       "      <td>0.886600</td>\n",
       "      <td>0.866276</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.881472</td>\n",
       "      <td>0.861380</td>\n",
       "      <td>0.902525</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>98</th>\n",
       "      <td>0.696970</td>\n",
       "      <td>0.909091</td>\n",
       "      <td>0.888031</td>\n",
       "      <td>0.867925</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.882959</td>\n",
       "      <td>0.863079</td>\n",
       "      <td>0.903777</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>99</th>\n",
       "      <td>0.700000</td>\n",
       "      <td>0.910273</td>\n",
       "      <td>0.889454</td>\n",
       "      <td>0.869565</td>\n",
       "      <td>0.304877</td>\n",
       "      <td>0.884438</td>\n",
       "      <td>0.864771</td>\n",
       "      <td>0.905021</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>100 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "     Mg#_Liq  Eq_Opx_Mg# (Kd=0.23)  Eq_Opx_Mg# (Kd=0.29)  \\\n",
       "0   0.400000              0.743494              0.696864   \n",
       "1   0.403030              0.745892              0.699521   \n",
       "2   0.406061              0.748269              0.702159   \n",
       "3   0.409091              0.750626              0.704777   \n",
       "4   0.412121              0.752962              0.707375   \n",
       "..       ...                   ...                   ...   \n",
       "95  0.687879              0.905501              0.883715   \n",
       "96  0.690909              0.906705              0.885162   \n",
       "97  0.693939              0.907902              0.886600   \n",
       "98  0.696970              0.909091              0.888031   \n",
       "99  0.700000              0.910273              0.889454   \n",
       "\n",
       "    Eq_Opx_Mg# (Kd=0.35)  Kd_XSi_P2008  Eq_Opx_Mg# (Kd_XSi_P2008)  \\\n",
       "0               0.655738      0.304877                   0.686193   \n",
       "1               0.658579      0.304877                   0.688902   \n",
       "2               0.661402      0.304877                   0.691592   \n",
       "3               0.664207      0.304877                   0.694262   \n",
       "4               0.666994      0.304877                   0.696914   \n",
       "..                   ...           ...                        ...   \n",
       "95              0.862954      0.304877                   0.878475   \n",
       "96              0.864619      0.304877                   0.879978   \n",
       "97              0.866276      0.304877                   0.881472   \n",
       "98              0.867925      0.304877                   0.882959   \n",
       "99              0.869565      0.304877                   0.884438   \n",
       "\n",
       "    Eq_Opx_Mg# (Kd_XSi_P2008)+0.06  Eq_Opx_Mg# (Kd_XSi_P2008)-0.06  \n",
       "0                         0.646281                        0.731360  \n",
       "1                         0.649158                        0.733831  \n",
       "2                         0.652018                        0.736280  \n",
       "3                         0.654860                        0.738710  \n",
       "4                         0.657684                        0.741120  \n",
       "..                             ...                             ...  \n",
       "95                        0.857956                        0.900000  \n",
       "96                        0.859672                        0.901266  \n",
       "97                        0.861380                        0.902525  \n",
       "98                        0.863079                        0.903777  \n",
       "99                        0.864771                        0.905021  \n",
       "\n",
       "[100 rows x 8 columns]"
      ]
     },
     "execution_count": 45,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pt.calculate_opx_rhodes_diagram_lines(Min_Mgno=0.4, Max_Mgno=0.7, liq_comps=Liq2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "cf6bffab-3064-4f31-8d79-8cbfdfca4504",
   "metadata": {},
   "outputs": [],
   "source": []
  }
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