def _create_standard_options(self, options):
builder = OptionsBuilder()
builder.add_program(options.program)
beam = GaussianBeam(energy_eV=options.beam.energy_eV,
diameter_m=0.0,
particle=options.beam.particle)
builder.add_beam(beam)
for material in options.sample.materials:
for z in material.composition:
standard = self.get_standard_material(z)
builder.add_sample(SubstrateSample(standard))
for limit in options.limits:
builder.add_limit(options.program, limit)
for model in options.models:
builder.add_model(options.program, model)
analysis = PhotonIntensityAnalysis(self.photon_detector)
builder.add_analysis(analysis)
return builder.build()
def build_options(samples, beams, analysis, program):
options_builder = OptionsBuilder()
options_builder.add_program(program)
for sample in samples:
options_builder.add_sample(sample)
for beam in beams:
options_builder.add_beam(beam)
options_builder.add_analysis(analysis)
options = options_builder.build()
return options
def testbuild3(self):
b = OptionsBuilder()
b.add_program(self.program)
b.add_beam(self.create_basic_beam())
b.add_sample(self.create_basic_sample())
det = self.create_basic_photondetector()
b.add_analysis(KRatioAnalysis(det))
self.assertEqual(2, len(b))
self.assertEqual(2, len(b.build()))
def _create_standard_options(self, options):
builder = OptionsBuilder(tags=[TAG_STANDARD])
program = copy.copy(options.program)
builder.add_program(program)
beam = PencilBeam(energy_eV=options.beam.energy_eV,
particle=options.beam.particle)
builder.add_beam(beam)
for material in options.sample.materials:
for z in material.composition:
standard = self.get_standard_material(z)
builder.add_sample(SubstrateSample(standard))
analysis = PhotonIntensityAnalysis(self.photon_detector)
builder.add_analysis(analysis)
return builder.build()
def main(argv=None):
options_builder = OptionsBuilder()
program = Casino2Program()
program.number_trajectories = 1000
options_builder.add_program(program)
beam_builder = GaussianBeamBuilder()
beam_builder.add_energy_eV(15e3)
beam_builder.add_diameter_m(10e-9)
beam_builder.add_linescan_x(-1e-07, 1e-07, 5e-08)
beams = beam_builder.build()
print("beams", beams)
options_builder.beams.extend(beams)
mat1 = Material.pure(26)
mat2 = Material.pure(14)
sample = VerticalLayerSample(mat1, mat2)
options_builder.add_sample(sample)
photon_detector = PhotonDetector("xray", math.radians(35.0))
# analysis = KRatioAnalysis(photon_detector)
analysis = PhotonIntensityAnalysis(photon_detector)
options_builder.add_analysis(analysis)
list_options = options_builder.build()
# Run simulation
project = Project()
# for options in opt:
with LocalSimulationRunner(project, max_workers=3) as runner:
futures = runner.submit(*list_options)
print("{} simulations launched".format(len(futures)))
while not runner.wait(1):
print(runner.progress)
print("{} simulations succeeded".format(runner.done_count))
print("{} simulations failed".format(runner.failed_count))
for future in runner.failed_futures:
print(future.exception())
# Results
project.recalculate()
print("{} were simulated".format(len(project.simulations)))
################################################################################################
### Ab hier wird es relevant ###
################################################################################################
# Hier werden die Ergebnisse gespeichert
data_all = []
for simulation in project.simulations:
# results = simulation.results
position = simulation.options.beam.x0_m
for unkresult in simulation.find_result(EmittedPhotonIntensityResult):
for xrayline, unkintensity in unkresult.items():
# z = xrayline.atomic_number
data = unkintensity.nominal_value
data_all.append((xrayline, position, data))
results = {}
# Zu jeder simulierten Röntgenlinie wird der Datensatz in einem Dictionary gespeichert
for x, p, d in data_all:
if not x in results:
results[x] = []
results[x].append((p, d))
# Sortiere Werte und gebe sie aus
sorted_results = []
for k, v in results.items():
v.sort(key=lambda t: t[0])
print("{}\t{}".format(k, v))
print(v)
plot_results(k, v)
sorted_results.append((k, v))
return sorted_results
print(sorted_results)