From a997fadfae8c89910cef87ac01a3d32d40a6a73a Mon Sep 17 00:00:00 2001
From: Marina Ganeva <m.ganeva@fz-juelich.de>
Date: Fri, 29 Nov 2013 15:49:52 +0100
Subject: [PATCH] Nothing usefull is done yet.
---
.../CoreShellNanoparticles.py | 105 ++++++++++++++++++
1 file changed, 105 insertions(+)
create mode 100644 Examples/python/simulation/ex007_CoreShellNanoparticles/CoreShellNanoparticles.py
diff --git a/Examples/python/simulation/ex007_CoreShellNanoparticles/CoreShellNanoparticles.py b/Examples/python/simulation/ex007_CoreShellNanoparticles/CoreShellNanoparticles.py
new file mode 100644
index 00000000000..c9a55b6d545
--- /dev/null
+++ b/Examples/python/simulation/ex007_CoreShellNanoparticles/CoreShellNanoparticles.py
@@ -0,0 +1,105 @@
+# IsGISAXS011 example: Core shell nanoparticles
+import sys
+import os
+import numpy
+import gzip
+
+sys.path.append(os.path.abspath(
+ os.path.join(os.path.split(__file__)[0],
+ '..', '..', '..', 'lib')))
+
+from libBornAgainCore import *
+
+
+# ----------------------------------
+# describe sample and run simulation
+# ----------------------------------
+def RunSimulation():
+ # defining materials
+ mAmbience = MaterialManager.getHomogeneousMaterial("Air", 0.0, 0.0 )
+ mShell = MaterialManager.getHomogeneousMaterial("Shell", 1e-4, 2e-8 )
+ mCore = MaterialManager.getHomogeneousMaterial("Core", 6e-5, 2e-8 )
+
+ # collection of particles
+ parallelepiped1_ff = FormFactorParallelepiped(8*nanometer, 8*nanometer)
+ parallelepiped2_ff = FormFactorParallelepiped(7*nanometer, 6*nanometer)
+ shell_particle = Particle(mShell, parallelepiped1_ff)
+ core_particle = Particle(mCore, parallelepiped2_ff)
+ core_position = kvector_t(0.0, 0.0, 0.0)
+ ##########################################
+ particle = ParticleCoreShell(shell_particle, core_particle, core_position)
+ particle_decoration= ParticleDecoration()
+ particle_decoration.addParticle(particle)
+ interference = InterferenceFunctionNone()
+ particle_decoration.addInterferenceFunction(interference)
+
+ air_layer = Layer(mAmbience)
+ air_layer.setDecoration(particle_decoration)
+
+ multi_layer = MultiLayer()
+ multi_layer.addLayer(air_layer)
+
+ # build and run experiment
+ simulation = Simulation()
+ simulation.setDetectorParameters(100,0.0*degree, 2.0*degree, 100, 0.0*degree, 2.0*degree, True)
+ simulation.setBeamParameters(1.0*angstrom, 0.2*degree, 0.0*degree)
+ simulation.setSample(multi_layer)
+ simulation.runSimulation()
+ ## intensity data
+ return simulation.getIntensityData().getArray()
+
+
+# ----------------------------------
+# read reference data from file
+# ----------------------------------
+def GetReferenceData():
+ path = os.path.split(__file__)[0]
+ if path: path +="/"
+ f = gzip.open(path+'../../ReferenceData/BornAgain/isgisaxs11_reference.ima.gz', 'rb')
+ reference=numpy.fromstring(f.read(),numpy.float64,sep=' ')
+ f.close()
+ return reference
+
+
+# --------------------------------------------------------------
+# calculate numeric difference between result and reference data
+# --------------------------------------------------------------
+def GetDifference(data, reference):
+ reference = reference.reshape(data.shape)
+ # calculating relative average difference
+ data -= reference
+ diff=0.0
+ epsilon = sys.float_info.epsilon
+ for x, y in numpy.ndindex(data.shape):
+ v1 = data[x][y]
+ v2 = reference[x][y]
+ if v1 <= epsilon and v2 <= epsilon:
+ diff += 0.0
+ elif(v2 <= epsilon):
+ diff += abs(v1/epsilon)
+ else:
+ diff += abs(v1/v2)
+ return diff/data.size
+
+
+# --------------------------------------------------------------
+# run test and analyse test results
+# --------------------------------------------------------------
+def runTest():
+ result = RunSimulation()
+ reference = GetReferenceData()
+
+ diff = GetDifference(result, reference)
+ status = "OK"
+ if(diff > 2e-10 or numpy.isnan(diff)): status = "FAILED"
+ return "IsGISAXS11", "Core shell nanoparticles", status
+
+
+#-------------------------------------------------------------
+# main()
+#-------------------------------------------------------------
+if __name__ == '__main__':
+ name,description,status = runTest()
+ print name,description,status
+ if("FAILED" in status) : exit(1)
+
--
GitLab