From 663cc0ca6e5c83c6410a704e3dcb095d2cde9652 Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (o)" <j.wuttke@fz-juelich.de>
Date: Tue, 24 May 2022 11:31:04 +0200
Subject: [PATCH] SpecularSimulation(scan, sample)
---
Examples/anaklasis/ba_anaklasis.py | 5 +-
Examples/bayesian/likelihood_sampling.py | 10 ++--
Examples/fit/specular/FitSpecularBasics.py | 8 +--
Examples/fit/specular/Honeycomb_fit.py | 6 +-
Examples/fit/specular/Pt_layer_fit.py | 9 ++-
.../specular/RealLifeReflectometryFitting.py | 9 ++-
Examples/specular/AlternatingLayers1.py | 5 +-
Examples/specular/AlternatingLayers2.py | 5 +-
.../specular/BasicPolarizedReflectometry.py | 21 ++-----
Examples/specular/BeamAngularDivergence.py | 6 +-
Examples/specular/BeamFullDivergence.py | 4 +-
Examples/specular/FootprintCorrection.py | 5 +-
Examples/specular/PolarizedNoAnalyzer.py | 5 +-
.../PolarizedNonperfectAnalyzerPolarizer.py | 5 +-
Examples/specular/PolarizedSpinAsymmetry.py | 8 +--
Examples/specular/PolarizedSpinFlip.py | 26 +++------
Examples/specular/RoughnessModel.py | 6 +-
.../SpecularSimulationWithRoughness.py | 5 +-
Examples/specular/TOFRWithResolution.py | 6 +-
.../specular/TimeOfFlightReflectometry.py | 5 +-
Tests/Unit/Sim/SpecularSimulationTest.cpp | 47 ++++-----------
Wrap/Python/std_simulations.py | 5 +-
auto/Wrap/doxygenSim.i | 3 +
auto/Wrap/libBornAgainSim.py | 1 +
auto/Wrap/libBornAgainSim_wrap.cpp | 57 +++++++++++++++++--
25 files changed, 117 insertions(+), 155 deletions(-)
diff --git a/Examples/anaklasis/ba_anaklasis.py b/Examples/anaklasis/ba_anaklasis.py
index 0257cb23710..0822d7671f7 100755
--- a/Examples/anaklasis/ba_anaklasis.py
+++ b/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(
diff --git a/Examples/bayesian/likelihood_sampling.py b/Examples/bayesian/likelihood_sampling.py
index 760a909cb8c..be455ef29aa 100755
--- a/Examples/bayesian/likelihood_sampling.py
+++ b/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()
diff --git a/Examples/fit/specular/FitSpecularBasics.py b/Examples/fit/specular/FitSpecularBasics.py
index b086df09c3c..022344a0440 100755
--- a/Examples/fit/specular/FitSpecularBasics.py
+++ b/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():
diff --git a/Examples/fit/specular/Honeycomb_fit.py b/Examples/fit/specular/Honeycomb_fit.py
index 3f01274449a..f8755973fab 100755
--- a/Examples/fit/specular/Honeycomb_fit.py
+++ b/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
diff --git a/Examples/fit/specular/Pt_layer_fit.py b/Examples/fit/specular/Pt_layer_fit.py
index cb0b31afb9f..55ee70c557e 100755
--- a/Examples/fit/specular/Pt_layer_fit.py
+++ b/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()
diff --git a/Examples/fit/specular/RealLifeReflectometryFitting.py b/Examples/fit/specular/RealLifeReflectometryFitting.py
index 787d8123cd6..348d6aaa34a 100755
--- a/Examples/fit/specular/RealLifeReflectometryFitting.py
+++ b/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()
diff --git a/Examples/specular/AlternatingLayers1.py b/Examples/specular/AlternatingLayers1.py
index 536e3fc7814..b25da0888d5 100755
--- a/Examples/specular/AlternatingLayers1.py
+++ b/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__':
diff --git a/Examples/specular/AlternatingLayers2.py b/Examples/specular/AlternatingLayers2.py
index 47023a901a3..acac1dfc64d 100755
--- a/Examples/specular/AlternatingLayers2.py
+++ b/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__':
diff --git a/Examples/specular/BasicPolarizedReflectometry.py b/Examples/specular/BasicPolarizedReflectometry.py
index a20d9685c81..af7248250a9 100755
--- a/Examples/specular/BasicPolarizedReflectometry.py
+++ b/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)
diff --git a/Examples/specular/BeamAngularDivergence.py b/Examples/specular/BeamAngularDivergence.py
index b8e3f6a38a3..557fcc62be8 100755
--- a/Examples/specular/BeamAngularDivergence.py
+++ b/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__':
diff --git a/Examples/specular/BeamFullDivergence.py b/Examples/specular/BeamFullDivergence.py
index bb3a9b3f6ba..cd09f06fd02 100755
--- a/Examples/specular/BeamFullDivergence.py
+++ b/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
diff --git a/Examples/specular/FootprintCorrection.py b/Examples/specular/FootprintCorrection.py
index 793d5cdcfb2..c9889c4fda2 100755
--- a/Examples/specular/FootprintCorrection.py
+++ b/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
diff --git a/Examples/specular/PolarizedNoAnalyzer.py b/Examples/specular/PolarizedNoAnalyzer.py
index 78a46aa29f0..f2642fd5441 100755
--- a/Examples/specular/PolarizedNoAnalyzer.py
+++ b/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):
diff --git a/Examples/specular/PolarizedNonperfectAnalyzerPolarizer.py b/Examples/specular/PolarizedNonperfectAnalyzerPolarizer.py
index 03e0f386754..b7e8f34b562 100755
--- a/Examples/specular/PolarizedNonperfectAnalyzerPolarizer.py
+++ b/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(*,
diff --git a/Examples/specular/PolarizedSpinAsymmetry.py b/Examples/specular/PolarizedSpinAsymmetry.py
index b1c0fdaeac7..a6e2bdeb1b4 100755
--- a/Examples/specular/PolarizedSpinAsymmetry.py
+++ b/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()
diff --git a/Examples/specular/PolarizedSpinFlip.py b/Examples/specular/PolarizedSpinFlip.py
index 05dee45de5d..96cf227411f 100755
--- a/Examples/specular/PolarizedSpinFlip.py
+++ b/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],
["$++$", "$--$", "$+-$", "$-+$"])
diff --git a/Examples/specular/RoughnessModel.py b/Examples/specular/RoughnessModel.py
index 1a9a208a6a4..0291e12efe9 100755
--- a/Examples/specular/RoughnessModel.py
+++ b/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):
diff --git a/Examples/specular/SpecularSimulationWithRoughness.py b/Examples/specular/SpecularSimulationWithRoughness.py
index 57cb74e83f6..304598c0e3d 100755
--- a/Examples/specular/SpecularSimulationWithRoughness.py
+++ b/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__':
diff --git a/Examples/specular/TOFRWithResolution.py b/Examples/specular/TOFRWithResolution.py
index 558cadeed1f..ddcb3687090 100755
--- a/Examples/specular/TOFRWithResolution.py
+++ b/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__':
diff --git a/Examples/specular/TimeOfFlightReflectometry.py b/Examples/specular/TimeOfFlightReflectometry.py
index 49260477651..f656a4dac7c 100755
--- a/Examples/specular/TimeOfFlightReflectometry.py
+++ b/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__':
diff --git a/Tests/Unit/Sim/SpecularSimulationTest.cpp b/Tests/Unit/Sim/SpecularSimulationTest.cpp
index 6f6e0822854..370f643de33 100644
--- a/Tests/Unit/Sim/SpecularSimulationTest.cpp
+++ b/Tests/Unit/Sim/SpecularSimulationTest.cpp
@@ -23,7 +23,7 @@ protected:
std::unique_ptr<SpecularSimulation> defaultSimulation();
- MultiLayer multilayer;
+ MultiLayer sample;
};
SpecularSimulationTest::SpecularSimulationTest()
@@ -36,25 +36,22 @@ SpecularSimulationTest::SpecularSimulationTest()
Layer layer1(mat1, 10 * Units::nm);
Layer layer2(mat2);
- multilayer.addLayer(layer0);
- multilayer.addLayer(layer1);
- multilayer.addLayer(layer2);
+ sample.addLayer(layer0);
+ sample.addLayer(layer1);
+ sample.addLayer(layer2);
}
std::unique_ptr<SpecularSimulation> SpecularSimulationTest::defaultSimulation()
{
- auto result = std::make_unique<SpecularSimulation>();
AlphaScan scan(1.0, FixedBinAxis("axis", 10, 0.0 * Units::deg, 2.0 * Units::deg));
- result->setScan(scan);
- result->setSample(multilayer);
- return result;
+ return std::make_unique<SpecularSimulation>(scan, sample);
}
TEST_F(SpecularSimulationTest, SetAngularScan)
{
- SpecularSimulation sim;
AlphaScan scan(1.0, std::vector<double>{1.0 * Units::deg, 3.0 * Units::deg});
- sim.setScan(scan);
+ SpecularSimulation sim(scan, sample);
+
const auto& beam = sim.beam();
EXPECT_EQ(2u, sim.coordinateAxis()->size());
@@ -65,21 +62,8 @@ TEST_F(SpecularSimulationTest, SetAngularScan)
EXPECT_EQ(0.0, beam.direction().alpha());
EXPECT_EQ(0.0, beam.direction().phi());
- SpecularSimulation sim2;
AlphaScan scan2(1.0, 10, 1.0 * Units::deg, 10.0 * Units::deg);
- sim2.setScan(scan2);
- EXPECT_EQ(10u, sim2.coordinateAxis()->size());
- EXPECT_EQ(1.0 * Units::deg, sim2.coordinateAxis()->min());
- EXPECT_EQ(10.0 * Units::deg, sim2.coordinateAxis()->max());
- EXPECT_EQ(1.0, beam.wavelength());
- EXPECT_EQ(0.0, beam.direction().alpha());
- EXPECT_EQ(0.0, beam.direction().phi());
-
- SpecularSimulation sim3;
- AlphaScan scan3(1.0, 10, -1.0 * Units::deg, 2.0 * Units::deg);
- EXPECT_FAILED_ASSERT(sim3.setScan(scan3));
-
- EXPECT_FAILED_ASSERT(sim2.setScan(scan2));
+ SpecularSimulation sim2(scan2, sample);
EXPECT_EQ(10u, sim2.coordinateAxis()->size());
EXPECT_EQ(1.0 * Units::deg, sim2.coordinateAxis()->min());
EXPECT_EQ(10.0 * Units::deg, sim2.coordinateAxis()->max());
@@ -87,14 +71,12 @@ TEST_F(SpecularSimulationTest, SetAngularScan)
EXPECT_EQ(0.0, beam.direction().alpha());
EXPECT_EQ(0.0, beam.direction().phi());
- SpecularSimulation sim4;
AlphaScan scan4(1.0, 10, .0 * Units::deg, 2.0 * Units::deg);
+ SpecularSimulation sim4(scan4, sample);
const auto polarizer_dir = R3({0., 0., 0.876});
const auto analyzer_dir = R3({0., 0., 1.});
sim4.setPolarization(polarizer_dir);
sim4.setAnalyzer(analyzer_dir, 0.33, 0.22);
- sim4.setScan(scan4);
- EXPECT_FAILED_ASSERT(sim4.setScan(scan4));
EXPECT_EQ(.0 * Units::deg, sim4.coordinateAxis()->min());
EXPECT_EQ(2.0 * Units::deg, sim4.coordinateAxis()->max());
@@ -112,10 +94,8 @@ TEST_F(SpecularSimulationTest, SetAngularScan)
TEST_F(SpecularSimulationTest, SetQScan)
{
- SpecularSimulation sim;
-
QzScan scan(std::vector<double>{1.0, 3.0});
- sim.setScan(scan);
+ SpecularSimulation sim(scan, sample);
const auto& beam = sim.beam();
@@ -130,9 +110,8 @@ TEST_F(SpecularSimulationTest, SetQScan)
sim.beam().setIntensity(2.0);
EXPECT_EQ(2.0, beam.intensity());
- SpecularSimulation sim2;
QzScan scan2(10, 1.0, 10.0);
- sim2.setScan(scan2);
+ SpecularSimulation sim2(scan2, sample);
EXPECT_EQ(10u, sim2.coordinateAxis()->size());
EXPECT_EQ(1.0, sim2.coordinateAxis()->min());
EXPECT_EQ(10.0, sim2.coordinateAxis()->max());
@@ -141,13 +120,11 @@ TEST_F(SpecularSimulationTest, SetQScan)
EXPECT_EQ(0.0, beam.direction().alpha());
EXPECT_EQ(0.0, beam.direction().phi());
- SpecularSimulation sim3;
- QzScan scan3(10, 1.0, 10.0);
+ SpecularSimulation sim3(scan2, sample);
const auto polarizer_dir = R3({0., 0., 0.876});
const auto analyzer_dir = R3({0., 0., 1.});
sim3.setPolarization(polarizer_dir);
sim3.setAnalyzer(analyzer_dir, 0.33, 0.22);
- sim3.setScan(scan3);
EXPECT_EQ(1.0, sim3.coordinateAxis()->min());
EXPECT_EQ(10.0, sim3.coordinateAxis()->max());
diff --git a/Wrap/Python/std_simulations.py b/Wrap/Python/std_simulations.py
index 4d92918388a..425868ed269 100644
--- a/Wrap/Python/std_simulations.py
+++ b/Wrap/Python/std_simulations.py
@@ -9,11 +9,8 @@ def specular(sample, scan_size):
"""
Returns a standard specular simulation.
"""
- simulation = ba.SpecularSimulation()
scan = ba.AlphaScan(1.54 * angstrom, scan_size, 0, 2 * deg)
- simulation.setScan(scan)
- simulation.setSample(sample)
- return simulation
+ return ba.SpecularSimulation(scan, sample)
def sas(sample, npix):
diff --git a/auto/Wrap/doxygenSim.i b/auto/Wrap/doxygenSim.i
index 0a233d2465e..b73c4c1c192 100644
--- a/auto/Wrap/doxygenSim.i
+++ b/auto/Wrap/doxygenSim.i
@@ -1894,6 +1894,9 @@ C++ includes: SpecularSimulation.h
%feature("docstring") SpecularSimulation::SpecularSimulation "SpecularSimulation::SpecularSimulation()
";
+%feature("docstring") SpecularSimulation::SpecularSimulation "SpecularSimulation::SpecularSimulation(const ISpecularScan &scan, const MultiLayer &sample)
+";
+
%feature("docstring") SpecularSimulation::~SpecularSimulation "SpecularSimulation::~SpecularSimulation() override
";
diff --git a/auto/Wrap/libBornAgainSim.py b/auto/Wrap/libBornAgainSim.py
index 8865dfa8f1a..1357e914972 100644
--- a/auto/Wrap/libBornAgainSim.py
+++ b/auto/Wrap/libBornAgainSim.py
@@ -3688,6 +3688,7 @@ class SpecularSimulation(ISimulation):
def __init__(self, *args):
r"""
__init__(SpecularSimulation self) -> SpecularSimulation
+ __init__(SpecularSimulation self, ISpecularScan const & scan, MultiLayer const & sample) -> SpecularSimulation
__init__(SpecularSimulation self, SpecularSimulation arg2) -> SpecularSimulation
SpecularSimulation::SpecularSimulation(SpecularSimulation &&)
diff --git a/auto/Wrap/libBornAgainSim_wrap.cpp b/auto/Wrap/libBornAgainSim_wrap.cpp
index c0ca4016783..45a09be043c 100644
--- a/auto/Wrap/libBornAgainSim_wrap.cpp
+++ b/auto/Wrap/libBornAgainSim_wrap.cpp
@@ -38620,6 +38620,41 @@ fail:
}
+SWIGINTERN PyObject *_wrap_new_SpecularSimulation__SWIG_1(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+ PyObject *resultobj = 0;
+ ISpecularScan *arg1 = 0 ;
+ MultiLayer *arg2 = 0 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ void *argp2 = 0 ;
+ int res2 = 0 ;
+ SpecularSimulation *result = 0 ;
+
+ if ((nobjs < 2) || (nobjs > 2)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_ISpecularScan, 0 | 0);
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_SpecularSimulation" "', argument " "1"" of type '" "ISpecularScan const &""'");
+ }
+ if (!argp1) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_SpecularSimulation" "', argument " "1"" of type '" "ISpecularScan const &""'");
+ }
+ arg1 = reinterpret_cast< ISpecularScan * >(argp1);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_MultiLayer, 0 | 0);
+ if (!SWIG_IsOK(res2)) {
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_SpecularSimulation" "', argument " "2"" of type '" "MultiLayer const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_SpecularSimulation" "', argument " "2"" of type '" "MultiLayer const &""'");
+ }
+ arg2 = reinterpret_cast< MultiLayer * >(argp2);
+ result = (SpecularSimulation *)new SpecularSimulation((ISpecularScan const &)*arg1,(MultiLayer const &)*arg2);
+ resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_SpecularSimulation, SWIG_POINTER_NEW | 0 );
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_delete_SpecularSimulation(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
SpecularSimulation *arg1 = (SpecularSimulation *) 0 ;
@@ -38642,7 +38677,7 @@ fail:
}
-SWIGINTERN PyObject *_wrap_new_SpecularSimulation__SWIG_1(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
+SWIGINTERN PyObject *_wrap_new_SpecularSimulation__SWIG_2(PyObject *SWIGUNUSEDPARM(self), Py_ssize_t nobjs, PyObject **swig_obj) {
PyObject *resultobj = 0;
SpecularSimulation *arg1 = 0 ;
void *argp1 = 0 ;
@@ -38668,11 +38703,11 @@ fail:
SWIGINTERN PyObject *_wrap_new_SpecularSimulation(PyObject *self, PyObject *args) {
Py_ssize_t argc;
- PyObject *argv[2] = {
+ PyObject *argv[3] = {
0
};
- if (!(argc = SWIG_Python_UnpackTuple(args, "new_SpecularSimulation", 0, 1, argv))) SWIG_fail;
+ if (!(argc = SWIG_Python_UnpackTuple(args, "new_SpecularSimulation", 0, 2, argv))) SWIG_fail;
--argc;
if (argc == 0) {
return _wrap_new_SpecularSimulation__SWIG_0(self, argc, argv);
@@ -38683,7 +38718,19 @@ SWIGINTERN PyObject *_wrap_new_SpecularSimulation(PyObject *self, PyObject *args
int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_SpecularSimulation, SWIG_POINTER_NO_NULL);
_v = SWIG_CheckState(res);
if (_v) {
- return _wrap_new_SpecularSimulation__SWIG_1(self, argc, argv);
+ return _wrap_new_SpecularSimulation__SWIG_2(self, argc, argv);
+ }
+ }
+ if (argc == 2) {
+ int _v;
+ int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_ISpecularScan, SWIG_POINTER_NO_NULL | 0);
+ _v = SWIG_CheckState(res);
+ if (_v) {
+ int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_MultiLayer, SWIG_POINTER_NO_NULL | 0);
+ _v = SWIG_CheckState(res);
+ if (_v) {
+ return _wrap_new_SpecularSimulation__SWIG_1(self, argc, argv);
+ }
}
}
@@ -38691,6 +38738,7 @@ fail:
SWIG_Python_RaiseOrModifyTypeError("Wrong number or type of arguments for overloaded function 'new_SpecularSimulation'.\n"
" Possible C/C++ prototypes are:\n"
" SpecularSimulation::SpecularSimulation()\n"
+ " SpecularSimulation::SpecularSimulation(ISpecularScan const &,MultiLayer const &)\n"
" SpecularSimulation::SpecularSimulation(SpecularSimulation &&)\n");
return 0;
}
@@ -42102,6 +42150,7 @@ static PyMethodDef SwigMethods[] = {
""},
{ "new_SpecularSimulation", _wrap_new_SpecularSimulation, METH_VARARGS, "\n"
"SpecularSimulation()\n"
+ "SpecularSimulation(ISpecularScan const & scan, MultiLayer const & sample)\n"
"new_SpecularSimulation(SpecularSimulation arg1) -> SpecularSimulation\n"
"SpecularSimulation::SpecularSimulation(SpecularSimulation &&)\n"
"\n"
--
GitLab