{
 "cells": [
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## VALD\n",
    "VALD is a database of atomic and molecular transitions used to create accurate synthetic spectra of many astrophysical systems. More information, as well as linelists can be downloaded from the [VALD website](http://vald.astro.uu.se/~vald/php/vald.ph).\n",
    "\n",
    "In this example, data was downloaded from the [VALD website](http://vald.astro.uu.se/) and extracted to /tmp/vald_sample_linelist.dat"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "**_NOTE:_** "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from carsus.io.vald import VALDReader"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "vald_reader = VALDReader(fname='/tmp/vald_sample_linelist.dat')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Table information is parsed to a dataframe which can be accesed via the .vald attribute. The column information is described in https://articles.adsabs.harvard.edu/pdf/1995A%26AS..112..525P and is as follows:\n",
    "\n",
    "Wavelength - either air or vacuum and in nanometers or angstroms: Wavelength of the line\n",
    "\n",
    "log_gf: Log10 of the oscillator strength times the degeneracy of the lower level\n",
    "\n",
    "e_low: Excitation energy of the lower level in ergs\n",
    "\n",
    "j_lo: Principal quantum number of the lower level\n",
    "\n",
    "e_up: Excitation energy of the upper level in ergs\n",
    "\n",
    "j_up: Principal quantum number of the upper level\n",
    "\n",
    "lande_lower: Lande factor of the lower level\n",
    "\n",
    "lande_upper: Lande factor of the upper level\n",
    "\n",
    "lande_mean: Mean lande factor\n",
    "\n",
    "rad: log10 of the radiation damping constant in $(4\\pi s)^{-1}$\n",
    "\n",
    "stark: log10 of the Stark damping constant at 10,000K in $(4\\pi s N_e)^{-1}$\n",
    "\n",
    "waals: log10 of the Van Der Waals damping constant at 10,000K in $(4\\pi s N_H)^{-1}$"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[\u001b[1m        carsus.io.vald.vald\u001b[0m][   \u001b[1;37mINFO\u001b[0m] - Parsing VALD from: /tmp/vald_sample_linelist.dat (\u001b[1mvald.py\u001b[0m:163)\n",
      "[\u001b[1m        carsus.io.vald.vald\u001b[0m][   \u001b[1;37mINFO\u001b[0m] - Found wavelength column header: WL_air(A) (\u001b[1mvald.py\u001b[0m:181)\n"
     ]
    },
    {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>elm_ion</th>\n",
       "      <th>WL_air(A)</th>\n",
       "      <th>log_gf</th>\n",
       "      <th>e_low</th>\n",
       "      <th>j_lo</th>\n",
       "      <th>e_up</th>\n",
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       "      <th>lande_lower</th>\n",
       "      <th>lande_upper</th>\n",
       "      <th>lande_mean</th>\n",
       "      <th>rad</th>\n",
       "      <th>stark</th>\n",
       "      <th>waals</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4100.0002</td>\n",
       "      <td>-11.472</td>\n",
       "      <td>0.2011</td>\n",
       "      <td>31.0</td>\n",
       "      <td>3.2242</td>\n",
       "      <td>32.0</td>\n",
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       "      <td>'TiO 1'</td>\n",
       "      <td>4100.0003</td>\n",
       "      <td>-4.037</td>\n",
       "      <td>0.7439</td>\n",
       "      <td>16.0</td>\n",
       "      <td>3.7670</td>\n",
       "      <td>15.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>7.264</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4100.0005</td>\n",
       "      <td>-10.188</td>\n",
       "      <td>0.6244</td>\n",
       "      <td>88.0</td>\n",
       "      <td>3.6475</td>\n",
       "      <td>87.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>6.911</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4100.0005</td>\n",
       "      <td>-9.915</td>\n",
       "      <td>0.0601</td>\n",
       "      <td>30.0</td>\n",
       "      <td>3.0832</td>\n",
       "      <td>31.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>4.830</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4100.0008</td>\n",
       "      <td>-0.314</td>\n",
       "      <td>1.8211</td>\n",
       "      <td>139.0</td>\n",
       "      <td>4.8443</td>\n",
       "      <td>139.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>7.874</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <th>46858</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4109.9989</td>\n",
       "      <td>-2.319</td>\n",
       "      <td>2.1318</td>\n",
       "      <td>161.0</td>\n",
       "      <td>5.1476</td>\n",
       "      <td>161.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>7.920</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
       "      <th>46859</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4109.9991</td>\n",
       "      <td>-2.276</td>\n",
       "      <td>0.3773</td>\n",
       "      <td>44.0</td>\n",
       "      <td>3.3931</td>\n",
       "      <td>43.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>7.296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <th>46860</th>\n",
       "      <td>'TiO 1'</td>\n",
       "      <td>4109.9995</td>\n",
       "      <td>-2.498</td>\n",
       "      <td>2.6005</td>\n",
       "      <td>135.0</td>\n",
       "      <td>5.6163</td>\n",
       "      <td>134.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>7.422</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
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       "      <td>'TiO 1'</td>\n",
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       "      <td>-6.429</td>\n",
       "      <td>0.6188</td>\n",
       "      <td>75.0</td>\n",
       "      <td>3.6346</td>\n",
       "      <td>76.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>-5.638</td>\n",
       "      <td>0.4544</td>\n",
       "      <td>56.0</td>\n",
       "      <td>3.4702</td>\n",
       "      <td>55.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>99.0</td>\n",
       "      <td>7.289</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "<p>46863 rows × 13 columns</p>\n",
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      "text/plain": [
       "       elm_ion  WL_air(A)  log_gf   e_low   j_lo    e_up   j_up  lande_lower  \\\n",
       "0      'TiO 1'  4100.0002 -11.472  0.2011   31.0  3.2242   32.0         99.0   \n",
       "1      'TiO 1'  4100.0003  -4.037  0.7439   16.0  3.7670   15.0         99.0   \n",
       "2      'TiO 1'  4100.0005 -10.188  0.6244   88.0  3.6475   87.0         99.0   \n",
       "3      'TiO 1'  4100.0005  -9.915  0.0601   30.0  3.0832   31.0         99.0   \n",
       "4      'TiO 1'  4100.0008  -0.314  1.8211  139.0  4.8443  139.0         99.0   \n",
       "...        ...        ...     ...     ...    ...     ...    ...          ...   \n",
       "46858  'TiO 1'  4109.9989  -2.319  2.1318  161.0  5.1476  161.0         99.0   \n",
       "46859  'TiO 1'  4109.9991  -2.276  0.3773   44.0  3.3931   43.0         99.0   \n",
       "46860  'TiO 1'  4109.9995  -2.498  2.6005  135.0  5.6163  134.0         99.0   \n",
       "46861  'TiO 1'  4110.0000  -6.429  0.6188   75.0  3.6346   76.0         99.0   \n",
       "46862  'TiO 1'  4110.0000  -5.638  0.4544   56.0  3.4702   55.0         99.0   \n",
       "\n",
       "       lande_upper  lande_mean    rad  stark  waals  \n",
       "0             99.0        99.0  6.962    0.0    0.0  \n",
       "1             99.0        99.0  7.264    0.0    0.0  \n",
       "2             99.0        99.0  6.911    0.0    0.0  \n",
       "3             99.0        99.0  4.830    0.0    0.0  \n",
       "4             99.0        99.0  7.874    0.0    0.0  \n",
       "...            ...         ...    ...    ...    ...  \n",
       "46858         99.0        99.0  7.920    0.0    0.0  \n",
       "46859         99.0        99.0  7.296    0.0    0.0  \n",
       "46860         99.0        99.0  7.422    0.0    0.0  \n",
       "46861         99.0        99.0  7.459    0.0    0.0  \n",
       "46862         99.0        99.0  7.289    0.0    0.0  \n",
       "\n",
       "[46863 rows x 13 columns]"
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     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "vald_reader.vald_raw"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "The reader parses the raw data and splits it into two linelist dataframes, either atomic or molecular. \n",
    "\n",
    "Linelists only carry along the specific relevant information necessary to compute opacities. They can be accesed with the .linelist_atoms or .linelist_molecules attributes.\n",
    "\n",
    "Note that the wavelengths here are reformated to Angstroms and in vacuum wavelengths."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[\u001b[1m                py.warnings\u001b[0m][\u001b[1;33mWARNING\u001b[0m] - /home/shield90/miniconda3/envs/carsus/lib/python3.7/site-packages/pandas/core/indexing.py:845: SettingWithCopyWarning: \n",
      "A value is trying to be set on a copy of a slice from a DataFrame.\n",
      "Try using .loc[row_indexer,col_indexer] = value instead\n",
      "\n",
      "See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy\n",
      "  self.obj[key] = _infer_fill_value(value)\n",
      " (\u001b[1mwarnings.py\u001b[0m:110)\n",
      "[\u001b[1m                py.warnings\u001b[0m][\u001b[1;33mWARNING\u001b[0m] - /home/shield90/miniconda3/envs/carsus/lib/python3.7/site-packages/pandas/core/indexing.py:966: SettingWithCopyWarning: \n",
      "A value is trying to be set on a copy of a slice from a DataFrame.\n",
      "Try using .loc[row_indexer,col_indexer] = value instead\n",
      "\n",
      "See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy\n",
      "  self.obj[item] = s\n",
      " (\u001b[1mwarnings.py\u001b[0m:110)\n",
      "[\u001b[1m                py.warnings\u001b[0m][\u001b[1;33mWARNING\u001b[0m] - /home/shield90/miniconda3/envs/carsus/lib/python3.7/site-packages/pandas/core/frame.py:4133: SettingWithCopyWarning: \n",
      "A value is trying to be set on a copy of a slice from a DataFrame\n",
      "\n",
      "See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy\n",
      "  errors=errors,\n",
      " (\u001b[1mwarnings.py\u001b[0m:110)\n"
     ]
    },
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       "      <td>0</td>\n",
       "      <td>4111.108811</td>\n",
       "      <td>-1.227</td>\n",
       "      <td>10.6900</td>\n",
       "      <td>13.7058</td>\n",
       "      <td>1.5</td>\n",
       "      <td>2.5</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0.00</td>\n",
       "      <td>-7.419</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>992</th>\n",
       "      <td>20</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.113052</td>\n",
       "      <td>-2.671</td>\n",
       "      <td>4.6244</td>\n",
       "      <td>7.6402</td>\n",
       "      <td>2.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>7.47</td>\n",
       "      <td>-2.75</td>\n",
       "      <td>-6.710</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>993</th>\n",
       "      <td>29</td>\n",
       "      <td>1</td>\n",
       "      <td>4111.127586</td>\n",
       "      <td>-4.848</td>\n",
       "      <td>13.9360</td>\n",
       "      <td>16.9518</td>\n",
       "      <td>5.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>8.44</td>\n",
       "      <td>-5.18</td>\n",
       "      <td>-7.500</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>994</th>\n",
       "      <td>24</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.141449</td>\n",
       "      <td>-3.441</td>\n",
       "      <td>4.5351</td>\n",
       "      <td>7.5509</td>\n",
       "      <td>4.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>7.61</td>\n",
       "      <td>-4.43</td>\n",
       "      <td>-7.320</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>995 rows × 11 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "     atomic_number  ion_charge   wavelength  log_gf    e_low     e_up  j_lo  \\\n",
       "0               25           1  4101.162586  -1.169   8.1293  11.1524   2.0   \n",
       "1               26           1  4101.200426  -5.992  10.4673  13.4904   1.5   \n",
       "2               22           2  4101.201266  -0.440  16.8273  19.8504   2.0   \n",
       "3                2           1  4101.205217  -0.725  51.0168  54.0399   3.5   \n",
       "4               26           2  4101.206318  -7.287  15.2375  18.2606   2.0   \n",
       "..             ...         ...          ...     ...      ...      ...   ...   \n",
       "990             24           0  4111.108321  -5.428   3.8470   6.8628   2.0   \n",
       "991              7           0  4111.108811  -1.227  10.6900  13.7058   1.5   \n",
       "992             20           0  4111.113052  -2.671   4.6244   7.6402   2.0   \n",
       "993             29           1  4111.127586  -4.848  13.9360  16.9518   5.0   \n",
       "994             24           0  4111.141449  -3.441   4.5351   7.5509   4.0   \n",
       "\n",
       "     j_up    rad  stark  waals  \n",
       "0     3.0   8.70  -6.47 -7.860  \n",
       "1     2.5   8.94  -5.86 -7.630  \n",
       "2     1.0   9.48  -5.99 -7.710  \n",
       "3     4.5  10.00   0.00  0.000  \n",
       "4     1.0   9.47  -6.35 -7.850  \n",
       "..    ...    ...    ...    ...  \n",
       "990   3.0   8.10  -6.16 -7.750  \n",
       "991   2.5   0.00   0.00 -7.419  \n",
       "992   1.0   7.47  -2.75 -6.710  \n",
       "993   5.0   8.44  -5.18 -7.500  \n",
       "994   3.0   7.61  -4.43 -7.320  \n",
       "\n",
       "[995 rows x 11 columns]"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "vald_reader.linelist_atoms"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>molecule</th>\n",
       "      <th>ion_charge</th>\n",
       "      <th>wavelength</th>\n",
       "      <th>log_gf</th>\n",
       "      <th>e_low</th>\n",
       "      <th>e_up</th>\n",
       "      <th>j_lo</th>\n",
       "      <th>j_up</th>\n",
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       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4101.157405</td>\n",
       "      <td>-11.472</td>\n",
       "      <td>0.2011</td>\n",
       "      <td>3.2242</td>\n",
       "      <td>31.0</td>\n",
       "      <td>32.0</td>\n",
       "      <td>6.962</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4101.157505</td>\n",
       "      <td>-4.037</td>\n",
       "      <td>0.7439</td>\n",
       "      <td>3.7670</td>\n",
       "      <td>16.0</td>\n",
       "      <td>15.0</td>\n",
       "      <td>7.264</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4101.157705</td>\n",
       "      <td>-10.188</td>\n",
       "      <td>0.6244</td>\n",
       "      <td>3.6475</td>\n",
       "      <td>88.0</td>\n",
       "      <td>87.0</td>\n",
       "      <td>6.911</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4101.157705</td>\n",
       "      <td>-9.915</td>\n",
       "      <td>0.0601</td>\n",
       "      <td>3.0832</td>\n",
       "      <td>30.0</td>\n",
       "      <td>31.0</td>\n",
       "      <td>4.830</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4101.158005</td>\n",
       "      <td>-0.314</td>\n",
       "      <td>1.8211</td>\n",
       "      <td>4.8443</td>\n",
       "      <td>139.0</td>\n",
       "      <td>139.0</td>\n",
       "      <td>7.874</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <th>...</th>\n",
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       "      <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>46858</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.158724</td>\n",
       "      <td>-2.319</td>\n",
       "      <td>2.1318</td>\n",
       "      <td>5.1476</td>\n",
       "      <td>161.0</td>\n",
       "      <td>161.0</td>\n",
       "      <td>7.920</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46859</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.158924</td>\n",
       "      <td>-2.276</td>\n",
       "      <td>0.3773</td>\n",
       "      <td>3.3931</td>\n",
       "      <td>44.0</td>\n",
       "      <td>43.0</td>\n",
       "      <td>7.296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46860</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.159324</td>\n",
       "      <td>-2.498</td>\n",
       "      <td>2.6005</td>\n",
       "      <td>5.6163</td>\n",
       "      <td>135.0</td>\n",
       "      <td>134.0</td>\n",
       "      <td>7.422</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46861</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.159824</td>\n",
       "      <td>-6.429</td>\n",
       "      <td>0.6188</td>\n",
       "      <td>3.6346</td>\n",
       "      <td>75.0</td>\n",
       "      <td>76.0</td>\n",
       "      <td>7.459</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46862</th>\n",
       "      <td>TiO</td>\n",
       "      <td>0</td>\n",
       "      <td>4111.159824</td>\n",
       "      <td>-5.638</td>\n",
       "      <td>0.4544</td>\n",
       "      <td>3.4702</td>\n",
       "      <td>56.0</td>\n",
       "      <td>55.0</td>\n",
       "      <td>7.289</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>45868 rows × 11 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      molecule  ion_charge   wavelength  log_gf   e_low    e_up   j_lo   j_up  \\\n",
       "0          TiO           0  4101.157405 -11.472  0.2011  3.2242   31.0   32.0   \n",
       "1          TiO           0  4101.157505  -4.037  0.7439  3.7670   16.0   15.0   \n",
       "2          TiO           0  4101.157705 -10.188  0.6244  3.6475   88.0   87.0   \n",
       "3          TiO           0  4101.157705  -9.915  0.0601  3.0832   30.0   31.0   \n",
       "4          TiO           0  4101.158005  -0.314  1.8211  4.8443  139.0  139.0   \n",
       "...        ...         ...          ...     ...     ...     ...    ...    ...   \n",
       "46858      TiO           0  4111.158724  -2.319  2.1318  5.1476  161.0  161.0   \n",
       "46859      TiO           0  4111.158924  -2.276  0.3773  3.3931   44.0   43.0   \n",
       "46860      TiO           0  4111.159324  -2.498  2.6005  5.6163  135.0  134.0   \n",
       "46861      TiO           0  4111.159824  -6.429  0.6188  3.6346   75.0   76.0   \n",
       "46862      TiO           0  4111.159824  -5.638  0.4544  3.4702   56.0   55.0   \n",
       "\n",
       "         rad  stark  waals  \n",
       "0      6.962    0.0    0.0  \n",
       "1      7.264    0.0    0.0  \n",
       "2      6.911    0.0    0.0  \n",
       "3      4.830    0.0    0.0  \n",
       "4      7.874    0.0    0.0  \n",
       "...      ...    ...    ...  \n",
       "46858  7.920    0.0    0.0  \n",
       "46859  7.296    0.0    0.0  \n",
       "46860  7.422    0.0    0.0  \n",
       "46861  7.459    0.0    0.0  \n",
       "46862  7.289    0.0    0.0  \n",
       "\n",
       "[45868 rows x 11 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "vald_reader.linelist_molecules"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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