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Refactoring mass fraction #2143

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Refactoring mass fraction #2143

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10674b4
Making new isotope mass fraction dataframe
satwik-kambham Oct 31, 2022
3268459
Normalizing dataframe after merging
satwik-kambham Oct 31, 2022
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25 changes: 22 additions & 3 deletions tardis/model/base.py
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Original file line number Diff line number Diff line change
Expand Up @@ -76,15 +76,19 @@ class Composition:
def __init__(
self,
density,
elemental_mass_fraction,
isotope_mass_fraction,
atomic_mass,
atomic_mass_unit=u.g,
):
self.density = density
self.elemental_mass_fraction = elemental_mass_fraction
self.isotope_mass_fraction = isotope_mass_fraction
self.atomic_mass_unit = atomic_mass_unit
self._atomic_mass = atomic_mass

@property
def elemental_mass_fraction(self):
return self.isotope_mass_fraction.as_atoms()

@property
def atomic_mass(self):
"""Atomic mass of elements in each shell"""
Expand Down Expand Up @@ -246,6 +250,21 @@ def __init__(
self.raw_abundance = self._abundance
self.raw_isotope_abundance = isotope_abundance

multi_index_tuples = []
for atomic_number in self.raw_abundance.index:
multi_index_tuples.append((atomic_number, -1))
multi_index = pd.MultiIndex.from_tuples(
multi_index_tuples, names=["atomic_number", "mass_number"]
)

raw_abundance = self.raw_abundance.set_index(multi_index)

isotope_mass_fraction = self.raw_isotope_abundance.decay(13).add(
raw_abundance, fill_value=0
)
norm_factor = isotope_mass_fraction.sum(axis=0)
isotope_mass_fraction /= norm_factor

atomic_mass = None
if elemental_mass is not None:
mass = {}
Expand Down Expand Up @@ -283,7 +302,7 @@ def __init__(

composition = Composition(
density=density,
elemental_mass_fraction=self.abundance,
isotope_mass_fraction=isotope_mass_fraction,
atomic_mass=atomic_mass,
)
geometry = Radial1DGeometry(
Expand Down
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