MPPNPy/read_isotopes.py at master · Bigash94/MPPNPy · GitHub

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from nugridpy import nugridse as mp
import numpy as np
import pandas as pd

run1=mp.se('../mppnp/z1m2/m2z1m2/H5_surf','surf.h5')
run2=mp.se('../mppnp/z2m2/m2z2m2/H5_surf','surf.h5')
run3=mp.se('../mppnp/z3m2/m2z3m2/H5_surf','surf.h5')
run4=mp.se('../mppnp/z1m2/m3z1m2/H5_surf','surf.h5')
run5=mp.se('../mppnp/z2m2/m3z2m2/H5_surf','surf.h5')
run6=mp.se('../mppnp/z3m2/m3z3m2/H5_surf','surf.h5')
run7=mp.se('../mppnp/z2m2/m3z2m2_hCBM_TDUx4p3/H5_surf','surf.h5')
run8=mp.se('../mppnp/z3m2/m3z3m2_hCBM_TDUx4p3/H5_surf','surf.h5')

label=['specie','m2z1m2','m2z2m2','m2z3m2','m3z1m2','m3z2m2','m3z3m2','m3z2m2_hCBM','m3z3m2_hCBM']

iso1 = []
ts = []
for j in run1.se.isotopes:
    iso1.append(float(run1.se.get(run1.se.cycles[-1],'iso_massf',j)))
    ts.append(j)

iso2 = []
for j in run2.se.isotopes:
    iso2.append(float(run2.se.get(run2.se.cycles[-1],'iso_massf',j)))

iso3 = []
for j in run3.se.isotopes:
    iso3.append(float(run3.se.get(run3.se.cycles[-1],'iso_massf',j)))

iso4 = []
for j in run4.se.isotopes:
    iso4.append(float(run4.se.get(run4.se.cycles[-1],'iso_massf',j)))

iso5 = []
for j in run5.se.isotopes:
    iso5.append(float(run5.se.get(run5.se.cycles[-1],'iso_massf',j)))

iso6 = []
for j in run6.se.isotopes:
    iso6.append(float(run6.se.get(run6.se.cycles[-1],'iso_massf',j)))

iso7 = []
for j in run7.se.isotopes:
    iso7.append(float(run7.se.get(run7.se.cycles[-1],'iso_massf',j)))

iso8 = []
for j in run8.se.isotopes:
    iso8.append(float(run8.se.get(run8.se.cycles[-1],'iso_massf',j)))

a = [ts,iso1,iso2,iso3,iso4,iso5,iso6,iso7,iso8]

df = pd.DataFrame(a).T
df.to_csv('X_i.txt',sep='\t')