"""
DabaxXraylib instance decorated with xoppy calculation functions.
"""
#
# dabax decorated with xoppy functions
#
from dabax.dabax_xraylib import DabaxXraylib
from xoppylib.decorators.xoppy_decorator import XoppyDecorator
[docs]class DabaxDecorated(DabaxXraylib, XoppyDecorator):
def __init__(self,
dabax_repository=None,
file_f0="f0_InterTables.dat",
file_f1f2="f1f2_Windt.dat",
file_CrossSec="CrossSec_EPDL97.dat",
file_Crystals="Crystals.dat",
):
DabaxXraylib.__init__(self,
dabax_repository=dabax_repository,
file_f0=file_f0,
file_f1f2=file_f1f2,
file_CrossSec=file_CrossSec,
file_Crystals=file_Crystals,
)
if __name__ == "__main__":
dx = DabaxDecorated()
# print(dx.f1f2_calc("Si", 8000, theta=3.0e-3, F=0, density=None, rough=0.0, verbose=True))
tmp = dx.bragg_calc(descriptor="Si",hh=1,kk=1,ll=1,temper=1.0,emin=5000.0,emax=15000.0,estep=100.0,
fileout="bragg_v2_dabax.dat")
tmp = dx.bragg_calc2(descriptor="YB66", hh=1, kk=1, ll=1, temper=1.0,
emin=5000.0, emax=15000.0, estep=100.0,
ANISO_SEL=0,
fileout="bragg_yb66.dat",
do_not_prototype=0, # 0=use site groups (recommended), 1=use all individual sites
verbose=False)