SpecularSimulation(scan, sample)

Examples/anaklasis/ba_anaklasis.py

@@ -449,7 +449,6 @@ def simulate(sample,
     if qmax:
         qzs = np.linspace(0., qmax[0]/angstrom, scan_size)
 
-    simulation = ba.SpecularSimulation()
 
     n_sig = 4.0
     n_samples = 25
@@ -462,11 +461,9 @@ def simulate(sample,
     else:
         scan.setRelativeQResolution(distr, 0.5*resolution)
 
-    simulation.setScan(scan)
-
+    simulation = ba.SpecularSimulation(scan, sample)
     simulation.setBackground(ba.ConstantBackground(background/scale))
 
-    simulation.setSample(sample)
     result = simulation.simulate()
 
     return np.array(result.axis(

Examples/bayesian/likelihood_sampling.py

@@ -76,15 +76,13 @@ def get_real_data():
 
 
 # Define the simulation
-def get_simulation(alpha):
+def get_simulation(sample, alpha):
     """
     Defines and returns a specular simulation.
     """
     wavelength = 0.154  #nm
     scan = ba.AlphaScan(wavelength, alpha)
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 # Run the simulation
@@ -97,8 +95,8 @@ def run_simulation(alpha, ni_thickness, ti_thickness):
     :return: simulated reflected intensity
     """
     sample = get_sample(ni_thickness, ti_thickness)
-    simulation = get_simulation(alpha)
-    simulation.setSample(sample)
+    simulation = get_simulation(sample, alpha)
+
     result = simulation.simulate()
     return result.array()
 

Examples/fit/specular/FitSpecularBasics.py

@@ -92,12 +92,10 @@ def get_simulation(params):
     Create and return specular simulation with its instrument defined
     """
     wavelength = 1.54*ba.angstrom  # beam wavelength
-
-    simulation = ba.SpecularSimulation()
     scan = ba.AlphaScan(wavelength, get_real_data_axis())
-    simulation.setScan(scan)
-    simulation.setSample(get_sample(params))
-    return simulation
+    sample = get_sample(params)
+
+    return ba.SpecularSimulation(scan, sample)
 
 
 def run_fitting():

Examples/fit/specular/Honeycomb_fit.py

@@ -88,9 +88,6 @@ def get_simulation(q_axis, fitParams, sign, ms150=False):
     scan = ba.QzScan(q_axis)
     scan.setAbsoluteQResolution(q_distr, dq)
 
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
-    simulation.beam().setIntensity(parameters["intensity"])
 
     if ms150:
         sample = get_sample(parameters=parameters,
@@ -99,7 +96,8 @@ def get_simulation(q_axis, fitParams, sign, ms150=False):
     else:
         sample = get_sample(parameters=parameters, sign=sign, ms150=1)
 
-    simulation.setSample(sample)
+    simulation = ba.SpecularSimulation(scan, sample)
+    simulation.beam().setIntensity(parameters["intensity"])
     simulation.setBackground(ba.ConstantBackground(5e-7))
 
     return simulation

Examples/fit/specular/Pt_layer_fit.py

@@ -56,6 +56,8 @@ def get_sample(params):
 
 def get_simulation(q_axis, parameters):
 
+    sample = get_sample(parameters)
+
     scan = ba.QzScan(q_axis)
     scan.setOffset(parameters["q_offset"])
 
@@ -65,21 +67,18 @@ def get_simulation(q_axis, parameters):
     distr = ba.RangedDistributionGaussian(n_samples, n_sig)
     scan.setAbsoluteQResolution(distr, parameters["q_res/q"])
 
-    simulation = ba.SpecularSimulation()
+    simulation = ba.SpecularSimulation(scan, sample)
+
     simulation.beam().setIntensity(parameters["intensity"])
 
-    simulation.setScan(scan)
     return simulation
 
 
 def run_simulation(q_axis, fitParams):
     parameters = dict(fitParams, **fixedParams)
 
-    sample = get_sample(parameters)
     simulation = get_simulation(q_axis, parameters)
 
-    simulation.setSample(sample)
-
     return simulation.simulate()
 
 

Examples/fit/specular/RealLifeReflectometryFitting.py

@@ -88,7 +88,7 @@ def get_weights(start, end):
     return expdata[start:end, 2]
 
 
-def create_simulation(arg_dict, bin_start, bin_end):
+def create_simulation(sample, arg_dict, bin_start, bin_end):
     """
     Creates and returns specular simulation
     """
@@ -100,8 +100,7 @@ def create_simulation(arg_dict, bin_start, bin_end):
     scan.setAbsoluteAngularResolution(alpha_distr, arg_dict["divergence"])
     scan.setFootprintFactor(footprint)
 
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
+    simulation = ba.SpecularSimulation(scan, sample)
     simulation.beam().setIntensity(arg_dict["intensity"])
     return simulation
 
@@ -139,8 +138,8 @@ def run_simulation(arg_dict, bin_start=0, bin_end=-1):
     Runs simulation and returns its result
     """
 
-    simulation = create_simulation(arg_dict, bin_start, bin_end)
-    simulation.setSample(buildSample(arg_dict))
+    sample = buildSample(arg_dict)
+    simulation = create_simulation(sample, arg_dict, bin_start, bin_end)
 
     return simulation.simulate()
 

Examples/specular/AlternatingLayers1.py

@@ -42,11 +42,8 @@ def get_simulation(sample):
     A standard specular simulation setup.
     """
     n = bp.simargs['n']
-    simulation = ba.SpecularSimulation()
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 2*deg)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 if __name__ == '__main__':

Examples/specular/AlternatingLayers2.py

@@ -18,11 +18,8 @@ def get_simulation(sample):
     A standard specular simulation setup.
     """
     n = bp.simargs['n']
-    simulation = ba.SpecularSimulation()
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 2*deg)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 if __name__ == '__main__':

Examples/specular/BasicPolarizedReflectometry.py

@@ -36,18 +36,10 @@ def get_sample():
     return sample
 
 
-def get_simulation(sample, scan_size=500):
-    """
-    Defines and returns a specular simulation.
-    """
-
-
-def simulate(polarizer_dir, analyzer_dir, title):
+def simulate(sample, polarizer_dir, analyzer_dir, title):
     n = bp.simargs['n']
-    simulation = ba.SpecularSimulation()
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 5*deg)
-    simulation.setScan(scan)
-    simulation.setSample(get_sample())
+    simulation = ba.SpecularSimulation(scan, sample)
 
     simulation.setPolarization(polarizer_dir)
     simulation.setAnalyzer(analyzer_dir, 1, 0.5)
@@ -57,16 +49,13 @@ def simulate(polarizer_dir, analyzer_dir, title):
     return result
 
 
-def run_simulations():
-    return ret
-
-
 if __name__ == '__main__':
     bp.parse_args(sim_n=500)
 
+    sample = get_sample()
     results = [
-        simulate(ba.R3(0, +1, 0), ba.R3(0, +1, 0), "$++$"),
-        simulate(ba.R3(0, -1, 0), ba.R3(0, -1, 0), "$--$"),
+        simulate(sample, ba.R3(0, +1, 0), ba.R3(0, +1, 0), "$++$"),
+        simulate(sample, ba.R3(0, -1, 0), ba.R3(0, -1, 0), "$--$"),
     ]
 
     bp.plot_multicurve_specular(results)

Examples/specular/BeamAngularDivergence.py

@@ -51,11 +51,7 @@ def get_simulation(sample, **kwargs):
     scan.setFootprintFactor(footprint)
     scan.setAbsoluteAngularResolution(alpha_distr, d_ang)
 
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 if __name__ == '__main__':

Examples/specular/BeamFullDivergence.py

@@ -35,9 +35,7 @@ def get_simulation(sample):
     scan.setAbsoluteAngularResolution(alpha_distr, d_ang)
     scan.setAbsoluteWavelengthResolution(wavelength_distr, d_wl)
 
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
-    simulation.setSample(sample)
+    return ba.SpecularSimulation(scan, sample)
 
     return simulation
 

Examples/specular/FootprintCorrection.py

@@ -12,12 +12,11 @@ sample = std_samples.alternating_layers()
 
 
 def simulate(footprint, title):
-    simulation = ba.SpecularSimulation()
     n = bp.simargs['n']
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 0.6*deg)
     scan.setFootprintFactor(footprint)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
+    simulation = ba.SpecularSimulation(scan, sample)
+
     result = simulation.simulate()
     result.setTitle(title)
     return result

Examples/specular/PolarizedNoAnalyzer.py

@@ -40,12 +40,9 @@ def get_simulation(sample):
     """
     Defines and returns a specular simulation.
     """
-    simulation = ba.SpecularSimulation()
     n = bp.simargs['n']
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 5*deg)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 def run_simulation(polarizer_dir=R3(0, 1, 0), analyzer_dir=None):

Examples/specular/PolarizedNonperfectAnalyzerPolarizer.py

@@ -54,7 +54,6 @@ def get_simulation(sample, scan_size=1500):
     """
     Defines and returns a specular simulation.
     """
-    simulation = ba.SpecularSimulation()
     qzs = numpy.linspace(0.1, 1.5, scan_size)
 
     n_sig = 4.0
@@ -64,9 +63,7 @@ def get_simulation(sample, scan_size=1500):
     scan = ba.QzScan(qzs)
     scan.setAbsoluteQResolution(distr, 0.008)
 
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 def run_simulation(*,

Examples/specular/PolarizedSpinAsymmetry.py

@@ -63,13 +63,12 @@ def get_sample(params):
     return multi_layer
 
 
-def get_simulation(q_axis, parameters, polarizer_dir, analyzer_dir):
+def get_simulation(sample, q_axis, parameters, polarizer_dir, analyzer_dir):
     """
     Returns a simulation object.
     Polarization, analyzer and resolution are set
     from given parameters
     """
-    simulation = ba.SpecularSimulation()
     q_axis = q_axis + parameters["q_offset"]
     scan = ba.QzScan(q_axis)
 
@@ -80,10 +79,10 @@ def get_simulation(q_axis, parameters, polarizer_dir, analyzer_dir):
     distr = ba.RangedDistributionGaussian(n_samples, n_sig)
     scan.setAbsoluteQResolution(distr, parameters["q_res"])
 
+    simulation = ba.SpecularSimulation(scan, sample)
     simulation.setPolarization(polarizer_dir)
     simulation.setAnalyzer(analyzer_dir, 1, 0.5)
 
-    simulation.setScan(scan)
     return simulation
 
 
@@ -96,10 +95,9 @@ def run_simulation(q_axis, fitParams, *, polarizer_dir, analyzer_dir):
     parameters = dict(fitParams, **fixedParams)
 
     sample = get_sample(parameters)
-    simulation = get_simulation(q_axis, parameters, polarizer_dir,
+    simulation = get_simulation(sample, q_axis, parameters, polarizer_dir,
                                 analyzer_dir)
 
-    simulation.setSample(sample)
     return simulation.simulate()
 
 

Examples/specular/PolarizedSpinFlip.py

@@ -36,25 +36,14 @@ def get_sample():
     return sample
 
 
-def get_simulation(sample, scan_size=500):
-    """
-    Defines and returns a specular simulation.
-    """
-    simulation = ba.SpecularSimulation()
-    scan = ba.AlphaScan(1.54*angstrom, scan_size, 0, 5*deg)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
-
-
-def run_simulation(polarizer_dir=ba.R3(0, 1, 0),
+def run_simulation(sample, polarizer_dir=ba.R3(0, 1, 0),
                    analyzer_dir=ba.R3(0, 1, 0)):
     """
     Runs simulation and returns its result.
     """
-    sample = get_sample()
-    simulation = get_simulation(sample)
+    scan = ba.AlphaScan(1.54*angstrom, 500, 0, 5*deg)
 
+    simulation = ba.SpecularSimulation(scan, sample)
     simulation.setPolarization(polarizer_dir)
     simulation.setAnalyzer(analyzer_dir, 1, 0.5)
 
@@ -81,11 +70,12 @@ def plot(data, labels):
 if __name__ == '__main__':
     bp.parse_args()
 
-    results_pp = run_simulation(ba.R3(0, 1, 0), ba.R3(0, 1, 0))
-    results_mm = run_simulation(ba.R3(0, -1, 0), ba.R3(0, -1, 0))
+    sample = get_sample()
 
-    results_pm = run_simulation(ba.R3(0, 1, 0), ba.R3(0, -1, 0))
-    results_mp = run_simulation(ba.R3(0, -1, 0), ba.R3(0, 1, 0))
+    results_pp = run_simulation(sample, ba.R3(0, 1, 0), ba.R3(0, 1, 0))
+    results_mm = run_simulation(sample, ba.R3(0, -1, 0), ba.R3(0, -1, 0))
+    results_pm = run_simulation(sample, ba.R3(0, 1, 0), ba.R3(0, -1, 0))
+    results_mp = run_simulation(sample, ba.R3(0, -1, 0), ba.R3(0, 1, 0))
 
     plot([results_pp, results_mm, results_pm, results_mp],
          ["$++$", "$--$", "$+-$", "$-+$"])

Examples/specular/RoughnessModel.py

@@ -47,12 +47,10 @@ def get_simulation(sample):
     """
     Defines and returns a specular simulation.
     """
-    simulation = ba.SpecularSimulation()
     n = bp.simargs['n']
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 2*deg)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+
+    return ba.SpecularSimulation(scan, sample)
 
 
 def simulate(roughness_model, title):

Examples/specular/SpecularSimulationWithRoughness.py

@@ -35,12 +35,9 @@ def get_sample():
 
 
 def get_simulation(sample):
-    simulation = ba.SpecularSimulation()
     n = bp.simargs['n']
     scan = ba.AlphaScan(1.54*angstrom, n, 0, 2*deg)
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 if __name__ == '__main__':

Examples/specular/TOFRWithResolution.py

@@ -36,11 +36,7 @@ def get_simulation(sample):
     scan = ba.QzScan(qzs)
     scan.setAbsoluteQResolution(distr, dq)
 
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 if __name__ == '__main__':

Examples/specular/TimeOfFlightReflectometry.py

@@ -25,10 +25,7 @@ def get_simulation(sample):
     n = bp.simargs['n']
     qzs = np.linspace(0.01, 1, n)  # qz-values
     scan = ba.QzScan(qzs)
-    simulation = ba.SpecularSimulation()
-    simulation.setScan(scan)
-    simulation.setSample(sample)
-    return simulation
+    return ba.SpecularSimulation(scan, sample)
 
 
 if __name__ == '__main__':