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#!/usr/bin/env python
"""
Evaluate the scattering for a shape using spherical integration over the entire
surface in theta-phi polar coordinates, and compare it to the 1D scattering
pattern for that shape.
Parameters are the same as sascomp. Unlike the -sphere option in sascomp,
the evaluation is restricted to a single radial line for performance reasons,
with angle set by -angle=alpha in the qx-qy plane.
"""
import os
import sys
sys.path.insert(0, os.path.dirname(os.path.dirname(os.path.realpath(__file__))))
import numpy as np
from sasmodels import compare, data
def main(angle=0, steps=76):
# Parse the options using the parser in sasmodels.compare. -angle
# is an additional parameter that is parsed separately., with -sphere=n and -angle=a as additional arguments
# Pull out angle ans
argv = []
for arg in sys.argv[1:]:
if arg.startswith('-sphere='):
steps = int(arg[8:])
elif arg.startswith('-angle='):
angle = float(arg[7:])
elif arg != "-2d":
argv.append(arg)
opts = compare.parse_opts(argv)
# Create a 2D radial slice
qr = opts['data'].x
qx, qy = qr*np.cos(np.radians(angle)), qr*np.sin(np.radians(angle))
radial_data = data.Data2D(x=qx, y=qy)
radial_data.radial = True # let plotter know it is actual 1D
# Create an engine to evaluate it
comp = compare.make_engine(opts['info'][0], radial_data,
opts['engine'][0], opts['cutoff'][0])
opts['engines'] = [opts['engines'][0], comp]
# Set the integration parameters to the half sphere
compare.set_spherical_integration_parameters(opts, steps)
# Set the random seed
if opts['seed'] > -1:
print("Randomize using -random=%i"%opts['seed'])
np.random.seed(opts['seed'])
# Run the comparison
compare.compare(opts, maxdim=np.inf)
if __name__ == "__main__":
main(angle=0)
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