get_species_references function to fluid_system added to show data references

src/gaspype/__init__.py

@@ -14,9 +14,9 @@ FloatArray = NDArray[NDFloat]
 
 _T = TypeVar('_T', 'fluid', 'elements')
 
-data = pkgutil.get_data(__name__, 'data/therm_data.bin')
-assert data is not None, 'Could not load thermodynamic data'
-species_db = db_reader(data)
+_data = pkgutil.get_data(__name__, 'data/therm_data.bin')
+assert _data is not None, 'Could not load thermodynamic data'
+_species_db = db_reader(_data)
 
 kB = 1.380649e-23  # J/K
 NA = 6.02214076e23  # 1/mol
@@ -86,10 +86,10 @@ def species(pattern: str = '*', element_names: str | list[str] = [], use_regex:
         pattern = '^' + pattern + '(,.*)?$'
 
     if element_names == []:
-        return [sn for sn in species_db.names if re.fullmatch(pattern, sn)]
+        return [sn for sn in _species_db.names if re.fullmatch(pattern, sn)]
     else:
         return [
-            s.name for s in species_db
+            s.name for s in _species_db
             if re.fullmatch(pattern, s.name) and
             (len(elements) == 0 or set(s.composition.keys()).issubset(elements))]
 
@@ -160,7 +160,7 @@ class fluid_system:
         element_compositions: list[dict[str, int]] = list()
 
         for i, s in enumerate(species):
-            species_data = species_db.read(s)
+            species_data = _species_db.read(s)
             if not species_data:
                 raise Exception(f'Species {s} not found')
             element_compositions.append(species_data.composition)
@@ -241,6 +241,14 @@ class fluid_system:
         """
         return lookup(self._g_rt_array, t, self._t_offset)
     
+    def get_species_references(self) -> str:
+        """Get a string with the references for all fluids of the fluid system
+
+        Returns:
+            String with the references
+        """
+        return '\n'.join([f'{s:<12}: {_species_db[s].ref_string}' for s in self.species])
+
     def __add__(self, other: 'fluid_system') -> 'fluid_system':
         assert isinstance(other, self.__class__)
         return self.__class__(self.species + other.species)

tests/test_fluid_references.py

@@ -0,0 +1,12 @@
+import gaspype as gp
+
+def test_fluid_references():
+    fs = gp.fluid_system('Cl, CH4, H2O, C2H6, C3H8')
+
+    reference_string = """Cl          : Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999. [g 7/97]
+CH4         : Gurvich,1991 pt1 p44 pt2 p36. [g 8/99]
+H2O         : Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25. [g 8/89]
+C2H6        : Ethane. Pamidimukkala,1982. [g 7/00]
+C3H8        : Hf:TRC(10/85) w1350. Chao,1973. [g 2/00]"""
+
+    assert reference_string == fs.get_species_references(), 'fs.get_species_references() == ' + fs.get_species_references()