How to use the storable.retrieve function in storable
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tschoonj / xraylib / data / anomalous-scattering / henke.py View on Github 
import sys, os
sys.path.insert(1, os.path.join(sys.path[0], '..'))
import utils
import numpy as np
import xraylib as xrl
from storable import retrieve # to read Perl storables
def check_energy(energy):
return energy
for i in range(1, energy.size):
if (energy[i] == energy[i-1]):
energy[i] += 1E-6
return energy
data = retrieve('henke.db')
with open('../fi.dat', 'w') as fi, open('../fii.dat', 'w') as fii:
for Z in range(1, 93):
print('Processing {Z}'.format(Z=Z))
symbol = xrl.AtomicNumberToSymbol(Z).lower()
energy = check_energy(np.array(data[symbol]['energy'], dtype=np.float64))
f1 = np.array(data[symbol]['f1'], dtype=np.float64)
f1dd = utils.deriv(energy, utils.deriv(energy, f1))
f1dd[np.where(np.logical_or(f1dd < -1, f1dd > 1))] = 0.0
f2 = np.array(data[symbol]['f2'], dtype=np.float64)
f2dd = utils.deriv(energy, utils.deriv(energy, f2))
f2dd[np.where(np.logical_or(f2dd < -1, f2dd > 1))] = 0.0
npoints = energy.size
fi.write('{n}\n'.format(n=npoints))
fii.write('{n}\n'.format(n=npoints))
for point in range(npoints):
