Add molecular data exposure to tardis atom data

tardis/io/atom_data/base.py

@@ -100,6 +100,21 @@
         columns: atomic_number, element, Rad energy, Rad intensity decay mode.
         Curated from nndc
 
+    molecular_equilibrium_constants : pandas.DataFrame
+    A DataFrame containing the *molecular equilibrium constants* with:
+        index: molecule
+        columns: temperatures
+
+    molecular_partition_functions : pandas.DataFrame
+    A DataFrame containing the *molecular partition functions* with:
+        index: molecule
+        columns: temperatures
+
+    molecular_dissociation_energies : pandas.DataFrame
+    A DataFrame containing the *molecular dissociation energies* with:
+        index: molecule
+
+
     Attributes
     ----------
     prepared : bool
@@ -116,6 +131,9 @@
     photoionization_data : pandas.DataFrame
     two_photon_data : pandas.DataFrame
     decay_radiation_data : pandas.DataFrame
+    molecular_equilibrium_constants : pandas.DataFrame
+    molecular_partition_functions : pandas.DataFrame
+    molecular_dissociation_energies : pandas.DataFrame
 
     Methods
     -------
@@ -221,6 +239,17 @@
             if "linelist" in store:
                 dataframes["linelist"] = store["linelist"]
 
+            if "molecules" in store:
+                dataframes["molecular_equilibrium_constants"] = store[
+                    "molecules/equilibrium_constants"
+                ]
+                dataframes["molecular_partition_functions"] = store[
+                    "molecules/partition_functions"
+                ]
+                dataframes["molecular_dissociation_energies"] = store[
+                    "molecules/dissociation_energies"
+                ]
+
             atom_data = cls(**dataframes)
 
             try:
@@ -284,6 +313,9 @@
         two_photon_data=None,
         linelist=None,
         decay_radiation_data=None,
+        molecular_equilibrium_constants=None,
+        molecular_partition_functions=None,
+        molecular_dissociation_energies=None,
     ):
         self.prepared = False
 
@@ -346,6 +378,17 @@
         if linelist is not None:
             self.linelist = linelist
 
+        if molecular_equilibrium_constants is not None:
+            self.molecular_equilibrium_constants = (
+                molecular_equilibrium_constants
+            )
+        if molecular_partition_functions is not None:
+            self.molecular_partition_functions = molecular_partition_functions
+        if molecular_dissociation_energies is not None:
+            self.molecular_dissociation_energies = (
+                molecular_dissociation_energies
+            )
+
         if decay_radiation_data is not None:
             self.decay_radiation_data = decay_radiation_data
         self._check_related()