Emily Boudreaux
ef53575c0d
Added the framework and some basic tests for a validation suite which automatically tests against pynucastro results
57 lines
1.8 KiB
Python
57 lines
1.8 KiB
Python
from fourdst.composition import Composition
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from fourdst.composition import CanonicalComposition
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from fourdst.atomic import Species
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from gridfire.type import NetIn
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def rescale_composition(comp_ref : Composition, ZZs : float, Y_primordial : float = 0.248) -> Composition:
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CC : CanonicalComposition = comp_ref.getCanonicalComposition()
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dY_dZ = (CC.Y - Y_primordial) / CC.Z
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Z_new = CC.Z * (10**ZZs)
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Y_bulk_new = Y_primordial + (dY_dZ * Z_new)
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X_new = 1.0 - Z_new - Y_bulk_new
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if X_new < 0: raise ValueError(f"ZZs={ZZs} yields unphysical composition (X < 0)")
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ratio_H = X_new / CC.X if CC.X > 0 else 0
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ratio_He = Y_bulk_new / CC.Y if CC.Y > 0 else 0
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ratio_Z = Z_new / CC.Z if CC.Z > 0 else 0
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Y_new_list = []
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newComp : Composition = Composition()
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s: Species
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for s in comp_ref.getRegisteredSpecies():
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Xi_ref = comp_ref.getMassFraction(s)
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if s.el() == "H":
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Xi_new = Xi_ref * ratio_H
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elif s.el() == "He":
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Xi_new = Xi_ref * ratio_He
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else:
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Xi_new = Xi_ref * ratio_Z
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Y = Xi_new / s.mass()
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newComp.registerSpecies(s)
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newComp.setMolarAbundance(s, Y)
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return newComp
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def init_composition(ZZs : float = 0) -> Composition:
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Y_solar = [7.0262E-01, 9.7479E-06, 6.8955E-02, 2.5000E-04, 7.8554E-05, 6.0144E-04, 8.1031E-05, 2.1513E-05]
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S = ["H-1", "He-3", "He-4", "C-12", "N-14", "O-16", "Ne-20", "Mg-24"]
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return rescale_composition(Composition(S, Y_solar), ZZs)
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def init_netIn(temp: float, rho: float, time: float, comp: Composition) -> NetIn:
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n : NetIn = NetIn()
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n.temperature = temp
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n.density = rho
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n.tMax = time
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n.dt0 = 1e-12
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n.composition = comp
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return n
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def years_to_seconds(years: float) -> float:
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return years * 3.1536e7
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