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mlz
BornAgain
Commits
675df01c
Commit
675df01c
authored
11 years ago
by
Van Herck, Walter
Browse files
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parent
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2 changed files
App/src/FunctionalTestFactory.cpp
+30
-15
30 additions, 15 deletions
App/src/FunctionalTestFactory.cpp
App/src/TestIsGISAXS13.cpp
+45
-21
45 additions, 21 deletions
App/src/TestIsGISAXS13.cpp
with
75 additions
and
36 deletions
App/src/FunctionalTestFactory.cpp
+
30
−
15
View file @
675df01c
...
@@ -83,7 +83,8 @@ void FunctionalTestFactory::execute(std::string name, ProgramOptions *p_options)
...
@@ -83,7 +83,8 @@ void FunctionalTestFactory::execute(std::string name, ProgramOptions *p_options)
test
=
createItem
(
name
);
test
=
createItem
(
name
);
}
catch
(
std
::
runtime_error
&
e
)
{
}
catch
(
std
::
runtime_error
&
e
)
{
std
::
cout
<<
e
.
what
()
<<
std
::
endl
;
std
::
cout
<<
e
.
what
()
<<
std
::
endl
;
std
::
cout
<<
"TestFactory::execute() -> Warning. No test with name '"
<<
name
<<
"' is defined."
<<
std
::
endl
;
std
::
cout
<<
"TestFactory::execute() -> Warning. No test with name '"
<<
name
<<
"' is defined."
<<
std
::
endl
;
return
;
return
;
}
}
...
@@ -104,7 +105,8 @@ void FunctionalTestFactory::profile(std::string name, ProgramOptions *p_options)
...
@@ -104,7 +105,8 @@ void FunctionalTestFactory::profile(std::string name, ProgramOptions *p_options)
test
=
createItem
(
name
);
test
=
createItem
(
name
);
}
catch
(
std
::
runtime_error
&
e
)
{
}
catch
(
std
::
runtime_error
&
e
)
{
std
::
cout
<<
e
.
what
()
<<
std
::
endl
;
std
::
cout
<<
e
.
what
()
<<
std
::
endl
;
std
::
cout
<<
"TestFactory::execute() -> Warning. No test with name '"
<<
name
<<
"' is defined."
<<
std
::
endl
;
std
::
cout
<<
"TestFactory::execute() -> Warning. No test with name '"
<<
name
<<
"' is defined."
<<
std
::
endl
;
return
;
return
;
}
}
...
@@ -158,15 +160,18 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
...
@@ -158,15 +160,18 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"diffuse"
,
"diffuse"
,
IFactoryCreateFunction
<
TestDiffuseReflection
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestDiffuseReflection
,
IFunctionalTest
>
,
"functional test: diffuse scattering from multilayer with roughness (obsolete)"
);
"functional test: diffuse scattering from multilayer with roughness "
"(obsolete)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs01"
,
"isgisaxs01"
,
IFactoryCreateFunction
<
TestIsGISAXS1
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS1
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-1 (2 types of particles without inteference on top of substrate)"
);
"functional test: isgisaxs ex-1 (2 types of particles without "
"interference on top of substrate)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs02"
,
"isgisaxs02"
,
IFactoryCreateFunction
<
TestIsGISAXS2
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS2
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-2 (mean form factors for particles with shape size distribution)"
);
"functional test: isgisaxs ex-2 (mean form factors for particles with "
"shape size distribution)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs03"
,
"isgisaxs03"
,
IFactoryCreateFunction
<
TestIsGISAXS3
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS3
,
IFunctionalTest
>
,
...
@@ -178,19 +183,23 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
...
@@ -178,19 +183,23 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs05"
,
"isgisaxs05"
,
IFactoryCreateFunction
<
TestIsGISAXS5
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS5
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-5 (fit with paracrystal 1d structure factor)"
);
"functional test: isgisaxs ex-5 (fit with paracrystal 1d structure "
"factor)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs06"
,
"isgisaxs06"
,
IFactoryCreateFunction
<
TestIsGISAXS6
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS6
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-6 (cylinders with lattice interference function)"
);
"functional test: isgisaxs ex-6 (cylinders with lattice interference "
"function)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs07"
,
"isgisaxs07"
,
IFactoryCreateFunction
<
TestIsGISAXS7
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS7
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-7 (particle mixture from morphology file)"
);
"functional test: isgisaxs ex-7 (particle mixture from morphology "
"file)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs08"
,
"isgisaxs08"
,
IFactoryCreateFunction
<
TestIsGISAXS8
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS8
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-8 (paracrystal lattice structure factors)"
);
"functional test: isgisaxs ex-8 (paracrystal lattice structure "
"factors)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs09"
,
"isgisaxs09"
,
IFactoryCreateFunction
<
TestIsGISAXS9
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS9
,
IFunctionalTest
>
,
...
@@ -198,11 +207,13 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
...
@@ -198,11 +207,13 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs10"
,
"isgisaxs10"
,
IFactoryCreateFunction
<
TestIsGISAXS10
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS10
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-10 (cylinders with interference on top of substrate)"
);
"functional test: isgisaxs ex-10 (cylinders with interference on top "
"of substrate)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs11"
,
"isgisaxs11"
,
IFactoryCreateFunction
<
TestIsGISAXS11
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS11
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-11 (core shell parallelopiped islands on top of substrate)"
);
"functional test: isgisaxs ex-11 (core shell parallelopiped islands "
"on top of substrate)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs12"
,
"isgisaxs12"
,
IFactoryCreateFunction
<
TestIsGISAXS12
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS12
,
IFunctionalTest
>
,
...
@@ -214,11 +225,13 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
...
@@ -214,11 +225,13 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs14"
,
"isgisaxs14"
,
IFactoryCreateFunction
<
TestIsGISAXS14
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS14
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-14 (multilayered sphere on graded interface)"
);
"functional test: isgisaxs ex-14 (multilayered sphere on graded "
"interface)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"isgisaxs15"
,
"isgisaxs15"
,
IFactoryCreateFunction
<
TestIsGISAXS15
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestIsGISAXS15
,
IFunctionalTest
>
,
"functional test: isgisaxs ex-15 (size-spacing correlation approximation)"
);
"functional test: isgisaxs ex-15 (size-spacing correlation "
"approximation)"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"convolution"
,
"convolution"
,
IFactoryCreateFunction
<
TestConvolution
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestConvolution
,
IFunctionalTest
>
,
...
@@ -266,7 +279,8 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
...
@@ -266,7 +279,8 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"fitbench"
,
"fitbench"
,
IFactoryCreateFunction
<
TestFittingBenchmark
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestFittingBenchmark
,
IFunctionalTest
>
,
"functional test: test of minimizers with hard-to-minimize test functions"
);
"functional test: test of minimizers with hard-to-minimize test "
"functions"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"Fourier"
,
"Fourier"
,
IFactoryCreateFunction
<
TestFourier
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestFourier
,
IFunctionalTest
>
,
...
@@ -274,7 +288,8 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
...
@@ -274,7 +288,8 @@ void RegisterFunctionalTests(FunctionalTestFactory *p_test_factory)
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"fumili"
,
"fumili"
,
IFactoryCreateFunction
<
TestFumiliLMA
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestFumiliLMA
,
IFunctionalTest
>
,
"functional test: test of ROOT's LMA-based minimizers Fumili and GSLMultiFit"
);
"functional test: test of ROOT's LMA-based minimizers Fumili and "
"GSLMultiFit"
);
p_test_factory
->
registerItem
(
p_test_factory
->
registerItem
(
"toyexp"
,
"toyexp"
,
IFactoryCreateFunction
<
TestToySimulation
,
IFunctionalTest
>
,
IFactoryCreateFunction
<
TestToySimulation
,
IFunctionalTest
>
,
...
...
This diff is collapsed.
Click to expand it.
App/src/TestIsGISAXS13.cpp
+
45
−
21
View file @
675df01c
// ************************************************************************** //
// ************************************************************************** //
//
//
// BornAgain: simulate and fit scattering at grazing incidence
// BornAgain: simulate and fit scattering at grazing incidence
//
//
//! @file App/src/TestIsGISAXS13.cpp
//! @file App/src/TestIsGISAXS13.cpp
...
@@ -61,7 +61,8 @@ TestIsGISAXS13::TestIsGISAXS13()
...
@@ -61,7 +61,8 @@ TestIsGISAXS13::TestIsGISAXS13()
,
mp_fitSuite
(
0
)
,
mp_fitSuite
(
0
)
{
{
setOutputPath
(
Utils
::
FileSystem
::
GetHomePath
()
+
"./Examples/IsGISAXS_examples/ex-13/"
);
setOutputPath
(
Utils
::
FileSystem
::
GetHomePath
()
+
"./Examples/IsGISAXS_examples/ex-13/"
);
}
}
...
@@ -93,29 +94,44 @@ void TestIsGISAXS13::run_isgisaxs_fit()
...
@@ -93,29 +94,44 @@ void TestIsGISAXS13::run_isgisaxs_fit()
// m_fitSuite->setMinimizer( MinimizerFactory::createMinimizer("Scan") );
// m_fitSuite->setMinimizer( MinimizerFactory::createMinimizer("Scan") );
// observers
// observers
mp_fitSuite
->
attachObserver
(
FitSuiteObserverFactory
::
createPrintObserver
(
10
)
);
mp_fitSuite
->
attachObserver
(
FitSuiteObserverFactory
::
mp_fitSuite
->
attachObserver
(
FitSuiteObserverFactory
::
createDrawObserver
(
50
)
);
createPrintObserver
(
10
)
);
mp_fitSuite
->
attachObserver
(
FitSuiteObserverFactory
::
createDrawObserver
(
50
)
);
// fit parameters
// fit parameters
mp_fitSuite
->
addFitParameter
(
"*Normalizer/scale"
,
1e5
,
1e3
,
AttLimits
::
limited
(
1e4
,
2e5
));
mp_fitSuite
->
addFitParameter
(
"*Normalizer/scale"
,
1e5
,
1e3
,
mp_fitSuite
->
addFitParameter
(
"*Normalizer/shift"
,
10
,
0.1
,
AttLimits
::
limited
(
0.
,
20.
));
AttLimits
::
limited
(
1e4
,
2e5
));
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/particle_radius"
,
4.0e+00
*
Units
::
nanometer
,
0.04
*
Units
::
nanometer
,
AttLimits
::
limited
(
2.0
,
8.0
)
);
mp_fitSuite
->
addFitParameter
(
"*Normalizer/shift"
,
10
,
0.1
,
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/dispersion_radius"
,
0.2
,
0.002
,
AttLimits
::
limited
(
0.01
,
1.0
)
);
AttLimits
::
limited
(
0.
,
20.
));
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/height_aspect_ratio"
,
0.8
,
0.08
,
AttLimits
::
limited
(
0.5
,
1.5
)
);
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/particle_radius"
,
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/interf_distance"
,
15
*
Units
::
nanometer
,
0.015
*
Units
::
nanometer
,
AttLimits
::
limited
(
0.01
,
50.0
)
);
4.0e+00
*
Units
::
nanometer
,
0.04
*
Units
::
nanometer
,
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/interf_width"
,
3
*
Units
::
nanometer
,
0.03
*
Units
::
nanometer
,
AttLimits
::
limited
(
0.01
,
10.
)
);
AttLimits
::
limited
(
2.0
,
8.0
)
);
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/dispersion_radius"
,
0.2
,
0.002
,
AttLimits
::
limited
(
0.01
,
1.0
)
);
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/height_aspect_ratio"
,
0.8
,
0.08
,
AttLimits
::
limited
(
0.5
,
1.5
)
);
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/interf_distance"
,
15
*
Units
::
nanometer
,
0.015
*
Units
::
nanometer
,
AttLimits
::
limited
(
0.01
,
50.0
)
);
mp_fitSuite
->
addFitParameter
(
"*SampleBuilder/interf_width"
,
3
*
Units
::
nanometer
,
0.03
*
Units
::
nanometer
,
AttLimits
::
limited
(
0.01
,
10.
)
);
// reading 1D data scans defined in isgisaxs example
// reading 1D data scans defined in isgisaxs example
IsGISAXSData
::
DataSet_t
isgi_scans
;
IsGISAXSData
::
DataSet_t
isgi_scans
;
IsGISAXSData
::
read_datfile
(
getOutputPath
()
+
"isgi_simulated_annealing.dat"
,
isgi_scans
);
IsGISAXSData
::
read_datfile
(
getOutputPath
()
+
"isgi_simulated_annealing.dat"
,
isgi_scans
);
// chi squared module
// chi squared module
ChiSquaredModule
chiModule
;
ChiSquaredModule
chiModule
;
chiModule
.
setChiSquaredFunction
(
SquaredFunctionWithSystematicError
(
0.08
)
);
chiModule
.
setChiSquaredFunction
(
SquaredFunctionWithSystematicError
(
0.08
)
);
chiModule
.
setOutputDataNormalizer
(
OutputDataNormalizer
()
);
chiModule
.
setOutputDataNormalizer
(
OutputDataNormalizer
()
);
//chiModule.setIntensityFunction( IntensityFunctionLog() );
//chiModule.setIntensityFunction( IntensityFunctionLog() );
for
(
IsGISAXSData
::
DataSet_t
::
iterator
it
=
isgi_scans
.
begin
();
it
!=
isgi_scans
.
end
();
++
it
)
{
for
(
IsGISAXSData
::
DataSet_t
::
iterator
it
=
isgi_scans
.
begin
();
mp_fitSuite
->
addSimulationAndRealData
(
*
mp_simulation
,
*
(
*
it
),
chiModule
);
it
!=
isgi_scans
.
end
();
++
it
)
{
mp_fitSuite
->
addSimulationAndRealData
(
*
mp_simulation
,
*
(
*
it
),
chiModule
);
}
}
mp_fitSuite
->
runFit
();
mp_fitSuite
->
runFit
();
...
@@ -148,8 +164,10 @@ void TestIsGISAXS13::run_isgisaxs_fit()
...
@@ -148,8 +164,10 @@ void TestIsGISAXS13::run_isgisaxs_fit()
for
(
size_t
i_set
=
0
;
i_set
<
mp_fitSuite
->
getFitObjects
()
->
size
();
++
i_set
)
{
for
(
size_t
i_set
=
0
;
i_set
<
mp_fitSuite
->
getFitObjects
()
->
size
();
++
i_set
)
{
c2
->
cd
((
int
)
i_set
+
1
);
c2
->
cd
((
int
)
i_set
+
1
);
const
FitObject
*
obj
=
mp_fitSuite
->
getFitObjects
()
->
getObject
(
i_set
);
const
FitObject
*
obj
=
mp_fitSuite
->
getFitObjects
()
->
getObject
(
i_set
);
TH1D
*
hreal
=
IsGISAXSTools
::
getOutputDataScanHist
(
*
obj
->
getChiSquaredModule
()
->
getRealData
(),
"BornAgain_real"
);
TH1D
*
hreal
=
IsGISAXSTools
::
getOutputDataScanHist
(
*
obj
->
TH1D
*
hsimul
=
IsGISAXSTools
::
getOutputDataScanHist
(
*
obj
->
getChiSquaredModule
()
->
getSimulationData
(),
"BornAgain_simul"
);
getChiSquaredModule
()
->
getRealData
(),
"BornAgain_real"
);
TH1D
*
hsimul
=
IsGISAXSTools
::
getOutputDataScanHist
(
*
obj
->
getChiSquaredModule
()
->
getSimulationData
(),
"BornAgain_simul"
);
hreal
->
SetLineColor
(
kBlue
);
hreal
->
SetLineColor
(
kBlue
);
gPad
->
SetLogy
();
gPad
->
SetLogy
();
hreal
->
DrawCopy
();
hreal
->
DrawCopy
();
...
@@ -167,12 +185,15 @@ void TestIsGISAXS13::run_isgisaxs_fit()
...
@@ -167,12 +185,15 @@ void TestIsGISAXS13::run_isgisaxs_fit()
for
(
size_t
i_set
=
0
;
i_set
<
mp_fitSuite
->
getFitObjects
()
->
size
();
++
i_set
)
{
for
(
size_t
i_set
=
0
;
i_set
<
mp_fitSuite
->
getFitObjects
()
->
size
();
++
i_set
)
{
c2
->
cd
(
3
+
1
);
c2
->
cd
(
3
+
1
);
const
FitObject
*
obj
=
mp_fitSuite
->
getFitObjects
()
->
getObject
(
i_set
);
const
FitObject
*
obj
=
mp_fitSuite
->
getFitObjects
()
->
getObject
(
i_set
);
OutputData
<
double
>
*
real
=
obj
->
getChiSquaredModule
()
->
getRealData
()
->
clone
();
OutputData
<
double
>
*
real
=
obj
->
getChiSquaredModule
()
->
OutputData
<
double
>
*
simul
=
obj
->
getChiSquaredModule
()
->
getSimulationData
()
->
clone
();
getRealData
()
->
clone
();
OutputData
<
double
>
*
simul
=
obj
->
getChiSquaredModule
()
->
getSimulationData
()
->
clone
();
c2
->
cd
((
int
)(
i_set
+
3
));
c2
->
cd
((
int
)(
i_set
+
3
));
*
simul
/=
*
real
;
*
simul
/=
*
real
;
TH1D
*
hratio
=
IsGISAXSTools
::
getOutputDataScanHist
(
*
simul
,
"BornAgain_real_simul_ratio"
);
TH1D
*
hratio
=
IsGISAXSTools
::
getOutputDataScanHist
(
*
simul
,
"BornAgain_real_simul_ratio"
);
hratio
->
DrawCopy
();
hratio
->
DrawCopy
();
if
(
i_set
==
0
)
{
if
(
i_set
==
0
)
{
leg2
->
AddEntry
(
hratio
,
"BornAgain simul/real"
,
"lp"
);
leg2
->
AddEntry
(
hratio
,
"BornAgain simul/real"
,
"lp"
);
...
@@ -197,8 +218,11 @@ void TestIsGISAXS13::initializeSimulation()
...
@@ -197,8 +218,11 @@ void TestIsGISAXS13::initializeSimulation()
delete
mp_simulation
;
delete
mp_simulation
;
mp_simulation
=
new
Simulation
(
mp_options
);
mp_simulation
=
new
Simulation
(
mp_options
);
mp_simulation
->
setSampleBuilder
(
mp_sample_builder
);
mp_simulation
->
setSampleBuilder
(
mp_sample_builder
);
mp_simulation
->
setDetectorParameters
(
100
,
0.0
*
Units
::
degree
,
2.0
*
Units
::
degree
,
100
,
0.0
*
Units
::
degree
,
2.0
*
Units
::
degree
,
true
);
mp_simulation
->
setDetectorParameters
(
mp_simulation
->
setBeamParameters
(
1.0
*
Units
::
angstrom
,
-
0.2
*
Units
::
degree
,
0.0
*
Units
::
degree
);
100
,
0.0
*
Units
::
degree
,
2.0
*
Units
::
degree
,
100
,
0.0
*
Units
::
degree
,
2.0
*
Units
::
degree
,
true
);
mp_simulation
->
setBeamParameters
(
1.0
*
Units
::
angstrom
,
-
0.2
*
Units
::
degree
,
0.0
*
Units
::
degree
);
}
}
...
...
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