diff --git a/Fit/Adapter/MinimizerAdapter.cpp b/Fit/Adapter/MinimizerAdapter.cpp
index 85ba581a05dc7dd8bdfbad196f0043ecd1d6d7be..0351277cae6363b956559dfcce43aa5903292003 100644
--- a/Fit/Adapter/MinimizerAdapter.cpp
+++ b/Fit/Adapter/MinimizerAdapter.cpp
@@ -15,8 +15,8 @@
#include "Fit/Adapter/MinimizerAdapter.h"
#include "Fit/Adapter/ObjectiveFunctionAdapter.h"
#include "Fit/Adapter/Report.h"
-#include "Fit/Adapter/RootResidualFunction.h"
-#include "Fit/Adapter/RootScalarFunction.h"
+#include "Fit/Residual/RootResidualFunction.h"
+#include "Fit/Residual/RootScalarFunction.h"
#include "Fit/Tools/StringUtil.h"
#include <Math/Minimizer.h>
diff --git a/Fit/Adapter/MinimizerAdapter.h b/Fit/Adapter/MinimizerAdapter.h
index 89a71b225bb17d4637985eaafa4a7d895b5e5844..5f5fd74db886800d83616dbbc4052f1fcdf91c90 100644
--- a/Fit/Adapter/MinimizerAdapter.h
+++ b/Fit/Adapter/MinimizerAdapter.h
@@ -20,7 +20,7 @@
#include "Fit/Minimizer/IMinimizer.h"
#include "Fit/Minimizer/MinimizerInfo.h"
-#include "Fit/Minimizer/MinimizerOptions.h"
+#include "Fit/Option/MinimizerOptions.h"
#include <memory>
#include <string>
diff --git a/Fit/Adapter/ObjectiveFunctionAdapter.cpp b/Fit/Adapter/ObjectiveFunctionAdapter.cpp
index 34a13b8c1297d32a96b9c0bd745df7817c06097f..d7e7b7f9d33152d193a688263f90041ea963b64f 100644
--- a/Fit/Adapter/ObjectiveFunctionAdapter.cpp
+++ b/Fit/Adapter/ObjectiveFunctionAdapter.cpp
@@ -13,10 +13,10 @@
// ************************************************************************************************
#include "Fit/Adapter/ObjectiveFunctionAdapter.h"
-#include "Fit/Adapter/ResidualFunctionAdapter.h"
-#include "Fit/Adapter/RootResidualFunction.h"
-#include "Fit/Adapter/RootScalarFunction.h"
-#include "Fit/Adapter/ScalarFunctionAdapter.h"
+#include "Fit/Residual/ResidualFunctionAdapter.h"
+#include "Fit/Residual/RootResidualFunction.h"
+#include "Fit/Residual/RootScalarFunction.h"
+#include "Fit/Residual/ScalarFunctionAdapter.h"
using namespace mumufit;
diff --git a/Fit/Kernel/MinimizerFactory.cpp b/Fit/Kernel/MinimizerFactory.cpp
index 564187c2225ee205df9841d0545013246e0b46c1..37a19626a8dfd677780fb0906f0cf79401ab09f9 100644
--- a/Fit/Kernel/MinimizerFactory.cpp
+++ b/Fit/Kernel/MinimizerFactory.cpp
@@ -13,11 +13,11 @@
// ************************************************************************************************
#include "Fit/Kernel/MinimizerFactory.h"
-#include "Fit/Adapter/GSLLevenbergMarquardtMinimizer.h"
-#include "Fit/Adapter/GSLMultiMinimizer.h"
-#include "Fit/Adapter/GeneticMinimizer.h"
-#include "Fit/Adapter/Minuit2Minimizer.h"
-#include "Fit/Adapter/SimAnMinimizer.h"
+#include "Fit/Suite/GSLLevenbergMarquardtMinimizer.h"
+#include "Fit/Suite/GSLMultiMinimizer.h"
+#include "Fit/Suite/GeneticMinimizer.h"
+#include "Fit/Suite/Minuit2Minimizer.h"
+#include "Fit/Suite/SimAnMinimizer.h"
#include <boost/format.hpp>
#include <iomanip>
#include <iostream>
diff --git a/Fit/Minimizer/MinimizerOptions.cpp b/Fit/Option/MinimizerOptions.cpp
similarity index 95%
rename from Fit/Minimizer/MinimizerOptions.cpp
rename to Fit/Option/MinimizerOptions.cpp
index d9cec8d94662cb0c99d61a49a907dcdf9a333f0e..028f292f0fd4e5c07b2a42a16650f95d45f6fe93 100644
--- a/Fit/Minimizer/MinimizerOptions.cpp
+++ b/Fit/Option/MinimizerOptions.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Minimizer/MinimizerOptions.cpp
+//! @file Fit/Option/MinimizerOptions.cpp
//! @brief Implements class MinimizerOptions.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Minimizer/MinimizerOptions.h"
+#include "Fit/Option/MinimizerOptions.h"
#include "Fit/Tools/StringUtil.h"
#include <iostream>
#include <sstream>
diff --git a/Fit/Minimizer/MinimizerOptions.h b/Fit/Option/MinimizerOptions.h
similarity index 81%
rename from Fit/Minimizer/MinimizerOptions.h
rename to Fit/Option/MinimizerOptions.h
index 8839f47db13b9d508b8548ad48aa35d13a1e862b..4476cc4e7c76d71356709281050ebfb1a88be43d 100644
--- a/Fit/Minimizer/MinimizerOptions.h
+++ b/Fit/Option/MinimizerOptions.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Minimizer/MinimizerOptions.h
+//! @file Fit/Option/MinimizerOptions.h
//! @brief Declares class MinimizerOptions.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,10 +15,10 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_MINIMIZER_MINIMIZEROPTIONS_H
-#define BORNAGAIN_FIT_MINIMIZER_MINIMIZEROPTIONS_H
+#ifndef BORNAGAIN_FIT_OPTION_MINIMIZEROPTIONS_H
+#define BORNAGAIN_FIT_OPTION_MINIMIZEROPTIONS_H
-#include "Fit/Tools/OptionContainer.h"
+#include "Fit/Option/OptionContainer.h"
//! Collection of internal minimizer settings.
@@ -34,4 +34,4 @@ private:
void processCommand(const std::string& command);
};
-#endif // BORNAGAIN_FIT_MINIMIZER_MINIMIZEROPTIONS_H
+#endif // BORNAGAIN_FIT_OPTION_MINIMIZEROPTIONS_H
diff --git a/Fit/Tools/MultiOption.cpp b/Fit/Option/MultiOption.cpp
similarity index 95%
rename from Fit/Tools/MultiOption.cpp
rename to Fit/Option/MultiOption.cpp
index 3a807ecffbf00163e00578badacbce826397dbe1..3734a4dc9425344ff46934f49ecec8b2bdb53ff9 100644
--- a/Fit/Tools/MultiOption.cpp
+++ b/Fit/Option/MultiOption.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Tools/MultiOption.cpp
+//! @file Fit/Option/MultiOption.cpp
//! @brief Implements class MultiOption
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Tools/MultiOption.h"
+#include "Fit/Option/MultiOption.h"
#include <string>
#include <utility>
diff --git a/Fit/Tools/MultiOption.h b/Fit/Option/MultiOption.h
similarity index 92%
rename from Fit/Tools/MultiOption.h
rename to Fit/Option/MultiOption.h
index 4709f57c8aca256722966b3004f4ec4fe2ae15c9..9a682d77afe488248a3fb043b7f734475ed4dc38 100644
--- a/Fit/Tools/MultiOption.h
+++ b/Fit/Option/MultiOption.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Tools/MultiOption.h
+//! @file Fit/Option/MultiOption.h
//! @brief Declares class MultiOption
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_TOOLS_MULTIOPTION_H
-#define BORNAGAIN_FIT_TOOLS_MULTIOPTION_H
+#ifndef BORNAGAIN_FIT_OPTION_MULTIOPTION_H
+#define BORNAGAIN_FIT_OPTION_MULTIOPTION_H
#include <string>
#include <variant>
@@ -81,4 +81,4 @@ T MultiOption::getDefault() const
return std::get<T>(m_default_value);
}
-#endif // BORNAGAIN_FIT_TOOLS_MULTIOPTION_H
+#endif // BORNAGAIN_FIT_OPTION_MULTIOPTION_H
diff --git a/Fit/Tools/OptionContainer.cpp b/Fit/Option/OptionContainer.cpp
similarity index 95%
rename from Fit/Tools/OptionContainer.cpp
rename to Fit/Option/OptionContainer.cpp
index 5bb9f0607198beaf52ed17274a8a02fcad979531..4895e76b23aeb61a407d18c97bfeb79fbc9d1b5d 100644
--- a/Fit/Tools/OptionContainer.cpp
+++ b/Fit/Option/OptionContainer.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Tools/OptionContainer.cpp
+//! @file Fit/Option/OptionContainer.cpp
//! @brief Implements class OptionContainer.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Tools/OptionContainer.h"
+#include "Fit/Option/OptionContainer.h"
#include <sstream>
//! Returns true if option with such name already exists.
diff --git a/Fit/Tools/OptionContainer.h b/Fit/Option/OptionContainer.h
similarity index 93%
rename from Fit/Tools/OptionContainer.h
rename to Fit/Option/OptionContainer.h
index 4e300b795ecc8a3f2eb9fb169e57bf3478b3bc9e..6ed264fe10d53ace05cfff2778bed60805329708 100644
--- a/Fit/Tools/OptionContainer.h
+++ b/Fit/Option/OptionContainer.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Tools/OptionContainer.h
+//! @file Fit/Option/OptionContainer.h
//! @brief Declares class OptionContainer.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,10 +15,10 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_TOOLS_OPTIONCONTAINER_H
-#define BORNAGAIN_FIT_TOOLS_OPTIONCONTAINER_H
+#ifndef BORNAGAIN_FIT_OPTION_OPTIONCONTAINER_H
+#define BORNAGAIN_FIT_OPTION_OPTIONCONTAINER_H
-#include "Fit/Tools/MultiOption.h"
+#include "Fit/Option/MultiOption.h"
#include <map>
#include <memory>
#include <stdexcept>
@@ -95,4 +95,4 @@ void OptionContainer::setOptionValue(const std::string& optionName, T value)
+ optionName + "'");
}
-#endif // BORNAGAIN_FIT_TOOLS_OPTIONCONTAINER_H
+#endif // BORNAGAIN_FIT_OPTION_OPTIONCONTAINER_H
diff --git a/Fit/Adapter/IFunctionAdapter.cpp b/Fit/Residual/IFunctionAdapter.cpp
similarity index 90%
rename from Fit/Adapter/IFunctionAdapter.cpp
rename to Fit/Residual/IFunctionAdapter.cpp
index 9283126edbcb8bb5ca11f0c0b72a03d04577a52f..425ed12d73ac59e02fe395a981a3b83ccdc043e1 100644
--- a/Fit/Adapter/IFunctionAdapter.cpp
+++ b/Fit/Residual/IFunctionAdapter.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/IFunctionAdapter.cpp
+//! @file Fit/Residual/IFunctionAdapter.cpp
//! @brief Implements interface IFunctionAdapter.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/IFunctionAdapter.h"
+#include "Fit/Residual/IFunctionAdapter.h"
using namespace mumufit;
diff --git a/Fit/Adapter/IFunctionAdapter.h b/Fit/Residual/IFunctionAdapter.h
similarity index 84%
rename from Fit/Adapter/IFunctionAdapter.h
rename to Fit/Residual/IFunctionAdapter.h
index db9dd0289cf6f980e47f25618df73fde168f8ad9..017fbc3ab7723a43c9d4b770ca0543c6e151e3f7 100644
--- a/Fit/Adapter/IFunctionAdapter.h
+++ b/Fit/Residual/IFunctionAdapter.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/IFunctionAdapter.h
+//! @file Fit/Residual/IFunctionAdapter.h
//! @brief Defines interface IFunctionAdapter.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_IFUNCTIONADAPTER_H
-#define BORNAGAIN_FIT_ADAPTER_IFUNCTIONADAPTER_H
+#ifndef BORNAGAIN_FIT_RESIDUAL_IFUNCTIONADAPTER_H
+#define BORNAGAIN_FIT_RESIDUAL_IFUNCTIONADAPTER_H
namespace mumufit {
@@ -38,4 +38,4 @@ protected:
} // namespace mumufit
-#endif // BORNAGAIN_FIT_ADAPTER_IFUNCTIONADAPTER_H
+#endif // BORNAGAIN_FIT_RESIDUAL_IFUNCTIONADAPTER_H
diff --git a/Fit/Adapter/ResidualFunctionAdapter.cpp b/Fit/Residual/ResidualFunctionAdapter.cpp
similarity index 96%
rename from Fit/Adapter/ResidualFunctionAdapter.cpp
rename to Fit/Residual/ResidualFunctionAdapter.cpp
index 2b30e761c2669ee4a6168897bac8a9c334c68c15..461b6644f6f838dad9bdca26ed7a9c67b72315c5 100644
--- a/Fit/Adapter/ResidualFunctionAdapter.cpp
+++ b/Fit/Residual/ResidualFunctionAdapter.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/ResidualFunctionAdapter.cpp
+//! @file Fit/Residual/ResidualFunctionAdapter.cpp
//! @brief Implements class ResidualFunctionAdapter.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,8 +12,8 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/ResidualFunctionAdapter.h"
-#include "Fit/Adapter/RootResidualFunction.h"
+#include "Fit/Residual/ResidualFunctionAdapter.h"
+#include "Fit/Residual/RootResidualFunction.h"
#include <cassert>
#include <memory>
#include <sstream>
diff --git a/Fit/Adapter/ResidualFunctionAdapter.h b/Fit/Residual/ResidualFunctionAdapter.h
similarity index 88%
rename from Fit/Adapter/ResidualFunctionAdapter.h
rename to Fit/Residual/ResidualFunctionAdapter.h
index d47a8bec4b63ffb88ab946f75ffb6402d92f356e..f62b764b6cadd0175c391363cb4ecda2389fdfd2 100644
--- a/Fit/Adapter/ResidualFunctionAdapter.h
+++ b/Fit/Residual/ResidualFunctionAdapter.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/ResidualFunctionAdapter.h
+//! @file Fit/Residual/ResidualFunctionAdapter.h
//! @brief Defines class ResidualFunctionAdapter.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,12 +15,12 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_RESIDUALFUNCTIONADAPTER_H
-#define BORNAGAIN_FIT_ADAPTER_RESIDUALFUNCTIONADAPTER_H
+#ifndef BORNAGAIN_FIT_RESIDUAL_RESIDUALFUNCTIONADAPTER_H
+#define BORNAGAIN_FIT_RESIDUAL_RESIDUALFUNCTIONADAPTER_H
-#include "Fit/Adapter/IFunctionAdapter.h"
#include "Fit/Minimizer/Types.h"
#include "Fit/Param/Parameters.h"
+#include "Fit/Residual/IFunctionAdapter.h"
#include <functional>
#include <memory>
#include <vector>
@@ -59,4 +59,4 @@ private:
} // namespace mumufit
-#endif // BORNAGAIN_FIT_ADAPTER_RESIDUALFUNCTIONADAPTER_H
+#endif // BORNAGAIN_FIT_RESIDUAL_RESIDUALFUNCTIONADAPTER_H
diff --git a/Fit/Adapter/RootResidualFunction.cpp b/Fit/Residual/RootResidualFunction.cpp
similarity index 96%
rename from Fit/Adapter/RootResidualFunction.cpp
rename to Fit/Residual/RootResidualFunction.cpp
index 054f30b3ac416bd352b4d6f3a7401c7ae2f1aa54..4c849c737ac13e52a9494a365aa390cb988a3f52 100644
--- a/Fit/Adapter/RootResidualFunction.cpp
+++ b/Fit/Residual/RootResidualFunction.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/RootResidualFunction.cpp
+//! @file Fit/Residual/RootResidualFunction.cpp
//! @brief Implements class RootResidualFunction.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/RootResidualFunction.h"
+#include "Fit/Residual/RootResidualFunction.h"
#include <utility>
diff --git a/Fit/Adapter/RootResidualFunction.h b/Fit/Residual/RootResidualFunction.h
similarity index 90%
rename from Fit/Adapter/RootResidualFunction.h
rename to Fit/Residual/RootResidualFunction.h
index 65af33fdbf49a4c5a778cb54f8956a34a17697b1..9496b65d1cacdb0564850c24fe5d6673ea7e0c49 100644
--- a/Fit/Adapter/RootResidualFunction.h
+++ b/Fit/Residual/RootResidualFunction.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/RootResidualFunction.h
+//! @file Fit/Residual/RootResidualFunction.h
//! @brief Declares class RootResidualFunction.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_ROOTRESIDUALFUNCTION_H
-#define BORNAGAIN_FIT_ADAPTER_ROOTRESIDUALFUNCTION_H
+#ifndef BORNAGAIN_FIT_RESIDUAL_ROOTRESIDUALFUNCTION_H
+#define BORNAGAIN_FIT_RESIDUAL_ROOTRESIDUALFUNCTION_H
#include "Fit/Minimizer/Types.h"
@@ -58,4 +58,4 @@ private:
size_t m_datasize;
};
-#endif // BORNAGAIN_FIT_ADAPTER_ROOTRESIDUALFUNCTION_H
+#endif // BORNAGAIN_FIT_RESIDUAL_ROOTRESIDUALFUNCTION_H
diff --git a/Fit/Adapter/RootScalarFunction.cpp b/Fit/Residual/RootScalarFunction.cpp
similarity index 88%
rename from Fit/Adapter/RootScalarFunction.cpp
rename to Fit/Residual/RootScalarFunction.cpp
index a9c3ed8cc14aca790e4e35b4fda84a0569149d81..02719293b6a22a443d05ca88a35c37dc437393fa 100644
--- a/Fit/Adapter/RootScalarFunction.cpp
+++ b/Fit/Residual/RootScalarFunction.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/RootScalarFunction.cpp
+//! @file Fit/Residual/RootScalarFunction.cpp
//! @brief Implements class RootScalarFunction
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/RootScalarFunction.h"
+#include "Fit/Residual/RootScalarFunction.h"
RootScalarFunction::RootScalarFunction(root_scalar_t fcn, int ndims)
: ROOT::Math::Functor(fcn, static_cast<unsigned int>(ndims))
diff --git a/Fit/Adapter/RootScalarFunction.h b/Fit/Residual/RootScalarFunction.h
similarity index 83%
rename from Fit/Adapter/RootScalarFunction.h
rename to Fit/Residual/RootScalarFunction.h
index 4399bd8d8ade1e5fb2ace8b16ffee92f040ad1b0..9bd1fe0ced74db23f8bde584af95ced921a2695b 100644
--- a/Fit/Adapter/RootScalarFunction.h
+++ b/Fit/Residual/RootScalarFunction.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/RootScalarFunction.h
+//! @file Fit/Residual/RootScalarFunction.h
//! @brief Defines classes RootScalarFunction
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_ROOTSCALARFUNCTION_H
-#define BORNAGAIN_FIT_ADAPTER_ROOTSCALARFUNCTION_H
+#ifndef BORNAGAIN_FIT_RESIDUAL_ROOTSCALARFUNCTION_H
+#define BORNAGAIN_FIT_RESIDUAL_ROOTSCALARFUNCTION_H
#include "Fit/Minimizer/Types.h"
@@ -36,4 +36,4 @@ public:
RootScalarFunction(root_scalar_t fcn, int ndims);
};
-#endif // BORNAGAIN_FIT_ADAPTER_ROOTSCALARFUNCTION_H
+#endif // BORNAGAIN_FIT_RESIDUAL_ROOTSCALARFUNCTION_H
diff --git a/Fit/Adapter/ScalarFunctionAdapter.cpp b/Fit/Residual/ScalarFunctionAdapter.cpp
similarity index 89%
rename from Fit/Adapter/ScalarFunctionAdapter.cpp
rename to Fit/Residual/ScalarFunctionAdapter.cpp
index a5b030cec202a953036cf0f2f4c52146f2b95169..fa88a7cea19ec8d40bb24529bae09ed3e2815e1d 100644
--- a/Fit/Adapter/ScalarFunctionAdapter.cpp
+++ b/Fit/Residual/ScalarFunctionAdapter.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/ScalarFunctionAdapter.cpp
+//! @file Fit/Residual/ScalarFunctionAdapter.cpp
//! @brief Defines class ScalarFunctionAdapter.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,9 +12,9 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/ScalarFunctionAdapter.h"
+#include "Fit/Residual/ScalarFunctionAdapter.h"
-#include "Fit/Adapter/RootScalarFunction.h"
+#include "Fit/Residual/RootScalarFunction.h"
#include <utility>
using namespace mumufit;
diff --git a/Fit/Adapter/ScalarFunctionAdapter.h b/Fit/Residual/ScalarFunctionAdapter.h
similarity index 85%
rename from Fit/Adapter/ScalarFunctionAdapter.h
rename to Fit/Residual/ScalarFunctionAdapter.h
index 0894995ec5d1bec8ed793ede2105168d6696644a..779c2fa6babec3b599528816eb3d80ded28b110e 100644
--- a/Fit/Adapter/ScalarFunctionAdapter.h
+++ b/Fit/Residual/ScalarFunctionAdapter.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/ScalarFunctionAdapter.h
+//! @file Fit/Residual/ScalarFunctionAdapter.h
//! @brief Defines class ScalarFunctionAdapter.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,12 +15,12 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_SCALARFUNCTIONADAPTER_H
-#define BORNAGAIN_FIT_ADAPTER_SCALARFUNCTIONADAPTER_H
+#ifndef BORNAGAIN_FIT_RESIDUAL_SCALARFUNCTIONADAPTER_H
+#define BORNAGAIN_FIT_RESIDUAL_SCALARFUNCTIONADAPTER_H
-#include "Fit/Adapter/IFunctionAdapter.h"
#include "Fit/Minimizer/Types.h"
#include "Fit/Param/Parameters.h"
+#include "Fit/Residual/IFunctionAdapter.h"
#include <functional>
#include <memory>
#include <vector>
@@ -49,4 +49,4 @@ private:
} // namespace mumufit
-#endif // BORNAGAIN_FIT_ADAPTER_SCALARFUNCTIONADAPTER_H
+#endif // BORNAGAIN_FIT_RESIDUAL_SCALARFUNCTIONADAPTER_H
diff --git a/Fit/Adapter/GSLLevenbergMarquardtMinimizer.cpp b/Fit/Suite/GSLLevenbergMarquardtMinimizer.cpp
similarity index 95%
rename from Fit/Adapter/GSLLevenbergMarquardtMinimizer.cpp
rename to Fit/Suite/GSLLevenbergMarquardtMinimizer.cpp
index b5528434723cf21c124f89f8a2c38d48f558cfd0..5fb21a1226b996ccaf635cb55fed0440a40030d2 100644
--- a/Fit/Adapter/GSLLevenbergMarquardtMinimizer.cpp
+++ b/Fit/Suite/GSLLevenbergMarquardtMinimizer.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/GSLLevenbergMarquardtMinimizer.cpp
+//! @file Fit/Suite/GSLLevenbergMarquardtMinimizer.cpp
//! @brief Implements class GSLLevenbergMarquardtMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,8 +12,8 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/GSLLevenbergMarquardtMinimizer.h"
-#include "Fit/Adapter/GSLMultiMinimizer.h"
+#include "Fit/Suite/GSLLevenbergMarquardtMinimizer.h"
+#include "Fit/Suite/GSLMultiMinimizer.h"
#include "Fit/Tools/MinimizerUtil.h"
#include "Fit/Tools/StringUtil.h"
#include <stdexcept>
diff --git a/Fit/Adapter/GSLLevenbergMarquardtMinimizer.h b/Fit/Suite/GSLLevenbergMarquardtMinimizer.h
similarity index 89%
rename from Fit/Adapter/GSLLevenbergMarquardtMinimizer.h
rename to Fit/Suite/GSLLevenbergMarquardtMinimizer.h
index 2092e52305b0533b7c7b3bcdcb9f905f71ffb21e..80cca3613cfc2988e23b424aeb543ee7067281ea 100644
--- a/Fit/Adapter/GSLLevenbergMarquardtMinimizer.h
+++ b/Fit/Suite/GSLLevenbergMarquardtMinimizer.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/GSLLevenbergMarquardtMinimizer.h
+//! @file Fit/Suite/GSLLevenbergMarquardtMinimizer.h
//! @brief Declares class GSLLevenbergMarquardtMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_GSLLEVENBERGMARQUARDTMINIMIZER_H
-#define BORNAGAIN_FIT_ADAPTER_GSLLEVENBERGMARQUARDTMINIMIZER_H
+#ifndef BORNAGAIN_FIT_SUITE_GSLLEVENBERGMARQUARDTMINIMIZER_H
+#define BORNAGAIN_FIT_SUITE_GSLLEVENBERGMARQUARDTMINIMIZER_H
#include "Fit/Adapter/MinimizerAdapter.h"
@@ -62,4 +62,4 @@ private:
std::unique_ptr<ROOT::Math::GSLNLSMinimizer> m_gsl_minimizer;
};
-#endif // BORNAGAIN_FIT_ADAPTER_GSLLEVENBERGMARQUARDTMINIMIZER_H
+#endif // BORNAGAIN_FIT_SUITE_GSLLEVENBERGMARQUARDTMINIMIZER_H
diff --git a/Fit/Adapter/GSLMultiMinimizer.cpp b/Fit/Suite/GSLMultiMinimizer.cpp
similarity index 95%
rename from Fit/Adapter/GSLMultiMinimizer.cpp
rename to Fit/Suite/GSLMultiMinimizer.cpp
index 1eb0680cffabf929615a244e8b4797c565d8da86..42e89c6e8b959ee4557180f07cc57c40b9d02693 100644
--- a/Fit/Adapter/GSLMultiMinimizer.cpp
+++ b/Fit/Suite/GSLMultiMinimizer.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/GSLMultiMinimizer.cpp
+//! @file Fit/Suite/GSLMultiMinimizer.cpp
//! @brief Implements class GSLMultiMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/GSLMultiMinimizer.h"
+#include "Fit/Suite/GSLMultiMinimizer.h"
#include "Fit/Tools/MinimizerUtil.h"
#include <string>
diff --git a/Fit/Adapter/GSLMultiMinimizer.h b/Fit/Suite/GSLMultiMinimizer.h
similarity index 89%
rename from Fit/Adapter/GSLMultiMinimizer.h
rename to Fit/Suite/GSLMultiMinimizer.h
index 3dd78265ec74efaa24a25d3ea9f59ec2067d9a3a..6b3fbd717ccc8a90208b34b1339681c0a381a48c 100644
--- a/Fit/Adapter/GSLMultiMinimizer.h
+++ b/Fit/Suite/GSLMultiMinimizer.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/GSLMultiMinimizer.h
+//! @file Fit/Suite/GSLMultiMinimizer.h
//! @brief Declares class GSLMultiMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_GSLMULTIMINIMIZER_H
-#define BORNAGAIN_FIT_ADAPTER_GSLMULTIMINIMIZER_H
+#ifndef BORNAGAIN_FIT_SUITE_GSLMULTIMINIMIZER_H
+#define BORNAGAIN_FIT_SUITE_GSLMULTIMINIMIZER_H
#include "Fit/Adapter/MinimizerAdapter.h"
@@ -52,4 +52,4 @@ private:
std::unique_ptr<ROOT::Math::GSLMinimizer> m_gsl_minimizer;
};
-#endif // BORNAGAIN_FIT_ADAPTER_GSLMULTIMINIMIZER_H
+#endif // BORNAGAIN_FIT_SUITE_GSLMULTIMINIMIZER_H
diff --git a/Fit/Adapter/GeneticMinimizer.cpp b/Fit/Suite/GeneticMinimizer.cpp
similarity index 97%
rename from Fit/Adapter/GeneticMinimizer.cpp
rename to Fit/Suite/GeneticMinimizer.cpp
index a97733e081a3a78c845a6e44ee8eb03928c2fba9..beba0a7e3e8da0287d82fcf8f8278dcc90d61f0f 100644
--- a/Fit/Adapter/GeneticMinimizer.cpp
+++ b/Fit/Suite/GeneticMinimizer.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/GeneticMinimizer.cpp
+//! @file Fit/Suite/GeneticMinimizer.cpp
//! @brief Implements class GeneticMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/GeneticMinimizer.h"
+#include "Fit/Suite/GeneticMinimizer.h"
#include <Math/GeneticMinimizer.h>
namespace {
diff --git a/Fit/Adapter/GeneticMinimizer.h b/Fit/Suite/GeneticMinimizer.h
similarity index 91%
rename from Fit/Adapter/GeneticMinimizer.h
rename to Fit/Suite/GeneticMinimizer.h
index b4b9390a70fe9d0180c916cf5264cef3d8a75f1c..a488cb587127d05ed8c8fbd9074445a7aa0fcaab 100644
--- a/Fit/Adapter/GeneticMinimizer.h
+++ b/Fit/Suite/GeneticMinimizer.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/GeneticMinimizer.h
+//! @file Fit/Suite/GeneticMinimizer.h
//! @brief Declares class GeneticMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_GENETICMINIMIZER_H
-#define BORNAGAIN_FIT_ADAPTER_GENETICMINIMIZER_H
+#ifndef BORNAGAIN_FIT_SUITE_GENETICMINIMIZER_H
+#define BORNAGAIN_FIT_SUITE_GENETICMINIMIZER_H
#include "Fit/Adapter/MinimizerAdapter.h"
@@ -69,4 +69,4 @@ private:
std::unique_ptr<ROOT::Math::GeneticMinimizer> m_genetic_minimizer;
};
-#endif // BORNAGAIN_FIT_ADAPTER_GENETICMINIMIZER_H
+#endif // BORNAGAIN_FIT_SUITE_GENETICMINIMIZER_H
diff --git a/Fit/Adapter/Minuit2Minimizer.cpp b/Fit/Suite/Minuit2Minimizer.cpp
similarity index 98%
rename from Fit/Adapter/Minuit2Minimizer.cpp
rename to Fit/Suite/Minuit2Minimizer.cpp
index dc7047c8519823af059088bed9796a0d04aa9c3b..1500c8253c6756e6eed4d9763a98de4651990c98 100644
--- a/Fit/Adapter/Minuit2Minimizer.cpp
+++ b/Fit/Suite/Minuit2Minimizer.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/Minuit2Minimizer.cpp
+//! @file Fit/Suite/Minuit2Minimizer.cpp
//! @brief Declares class Minuit2Minimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,7 +12,7 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/Minuit2Minimizer.h"
+#include "Fit/Suite/Minuit2Minimizer.h"
#include "Fit/Tools/StringUtil.h"
#include <Minuit2/Minuit2Minimizer.h>
diff --git a/Fit/Adapter/Minuit2Minimizer.h b/Fit/Suite/Minuit2Minimizer.h
similarity index 94%
rename from Fit/Adapter/Minuit2Minimizer.h
rename to Fit/Suite/Minuit2Minimizer.h
index 16cea376be5365c0b74cf43eea0247c9630fea1d..a2457cbd2371b74750f6e76f1637915317ee0c8a 100644
--- a/Fit/Adapter/Minuit2Minimizer.h
+++ b/Fit/Suite/Minuit2Minimizer.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/Minuit2Minimizer.h
+//! @file Fit/Suite/Minuit2Minimizer.h
//! @brief Declares class Minuit2Minimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_MINUIT2MINIMIZER_H
-#define BORNAGAIN_FIT_ADAPTER_MINUIT2MINIMIZER_H
+#ifndef BORNAGAIN_FIT_SUITE_MINUIT2MINIMIZER_H
+#define BORNAGAIN_FIT_SUITE_MINUIT2MINIMIZER_H
#include "Fit/Adapter/MinimizerAdapter.h"
#include <memory>
@@ -82,4 +82,4 @@ private:
std::unique_ptr<ROOT::Minuit2::Minuit2Minimizer> m_minuit2_minimizer;
};
-#endif // BORNAGAIN_FIT_ADAPTER_MINUIT2MINIMIZER_H
+#endif // BORNAGAIN_FIT_SUITE_MINUIT2MINIMIZER_H
diff --git a/Fit/Adapter/SimAnMinimizer.cpp b/Fit/Suite/SimAnMinimizer.cpp
similarity index 96%
rename from Fit/Adapter/SimAnMinimizer.cpp
rename to Fit/Suite/SimAnMinimizer.cpp
index d33c259a1a795e2db3f445ea1821bbb716b5ff42..b7c1ed616f116c47c95572d96cfd17dd57dd4672 100644
--- a/Fit/Adapter/SimAnMinimizer.cpp
+++ b/Fit/Suite/SimAnMinimizer.cpp
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/SimAnMinimizer.cpp
+//! @file Fit/Suite/SimAnMinimizer.cpp
//! @brief Implements class SimAnMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -12,8 +12,8 @@
//
// ************************************************************************************************
-#include "Fit/Adapter/SimAnMinimizer.h"
-#include "Fit/Adapter/GSLMultiMinimizer.h"
+#include "Fit/Suite/SimAnMinimizer.h"
+#include "Fit/Suite/GSLMultiMinimizer.h"
#ifdef _WIN32
#pragma warning(push)
diff --git a/Fit/Adapter/SimAnMinimizer.h b/Fit/Suite/SimAnMinimizer.h
similarity index 92%
rename from Fit/Adapter/SimAnMinimizer.h
rename to Fit/Suite/SimAnMinimizer.h
index 0cd96315eddf7954aa64a13aae2f6f527dbac788..51dba37a7825f74534c15fe45ca13ebc1612f850 100644
--- a/Fit/Adapter/SimAnMinimizer.h
+++ b/Fit/Suite/SimAnMinimizer.h
@@ -2,7 +2,7 @@
//
// BornAgain: simulate and fit reflection and scattering
//
-//! @file Fit/Adapter/SimAnMinimizer.h
+//! @file Fit/Suite/SimAnMinimizer.h
//! @brief Declares class SimAnMinimizer.
//!
//! @homepage http://www.bornagainproject.org
@@ -15,8 +15,8 @@
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
-#ifndef BORNAGAIN_FIT_ADAPTER_SIMANMINIMIZER_H
-#define BORNAGAIN_FIT_ADAPTER_SIMANMINIMIZER_H
+#ifndef BORNAGAIN_FIT_SUITE_SIMANMINIMIZER_H
+#define BORNAGAIN_FIT_SUITE_SIMANMINIMIZER_H
#include "Fit/Adapter/MinimizerAdapter.h"
@@ -75,4 +75,4 @@ private:
std::unique_ptr<ROOT::Math::GSLSimAnMinimizer> m_siman_minimizer;
};
-#endif // BORNAGAIN_FIT_ADAPTER_SIMANMINIMIZER_H
+#endif // BORNAGAIN_FIT_SUITE_SIMANMINIMIZER_H
diff --git a/GUI/Model/Job/MinimizerItem.cpp b/GUI/Model/Job/MinimizerItem.cpp
index 83e5444bc99c8cd6df54f5e2b02253b6c5c1b2ac..28e506f69af08e53c7c03268072485a441379edd 100644
--- a/GUI/Model/Job/MinimizerItem.cpp
+++ b/GUI/Model/Job/MinimizerItem.cpp
@@ -14,11 +14,11 @@
#include "GUI/Model/Job/MinimizerItem.h"
#include "Base/Util/Assert.h"
-#include "Fit/Adapter/GSLLevenbergMarquardtMinimizer.h"
-#include "Fit/Adapter/GSLMultiMinimizer.h"
-#include "Fit/Adapter/GeneticMinimizer.h"
-#include "Fit/Adapter/Minuit2Minimizer.h"
-#include "Fit/Adapter/SimAnMinimizer.h"
+#include "Fit/Suite/GSLLevenbergMarquardtMinimizer.h"
+#include "Fit/Suite/GSLMultiMinimizer.h"
+#include "Fit/Suite/GeneticMinimizer.h"
+#include "Fit/Suite/Minuit2Minimizer.h"
+#include "Fit/Suite/SimAnMinimizer.h"
#include "GUI/Model/Job/MinimizerItemCatalog.h"
#include "GUI/Support/XML/UtilXML.h"
#include "Sim/Fitting/ObjectiveMetric.h"
diff --git a/Sim/Fitting/FitObjective.cpp b/Sim/Fitting/FitObjective.cpp
index 48c5761ff84241953c2672c35fc14263b151cebd..8de498271eec2448d86dadc8b99a3cf0c3c1460a 100644
--- a/Sim/Fitting/FitObjective.cpp
+++ b/Sim/Fitting/FitObjective.cpp
@@ -373,12 +373,6 @@ bool FitObjective::allPairsHaveUncertainties() const
return result;
}
-//! Returns available metrics and norms
-std::string FitObjective::availableMetricOptions()
-{
- return ObjectiveMetricUtil::availableMetricOptions();
-}
-
std::vector<double> FitObjective::composeArray(DataPairAccessor getter) const
{
const size_t n_objs = m_fit_objects.size();
diff --git a/Sim/Fitting/FitObjective.h b/Sim/Fitting/FitObjective.h
index ec148ef86bcab5853514f15265a6fe702336c4fa..274bb6e44384d4cc468e12b411774f2fda47e965 100644
--- a/Sim/Fitting/FitObjective.h
+++ b/Sim/Fitting/FitObjective.h
@@ -27,11 +27,10 @@ class PyBuilderCallback;
class PyObserverCallback;
class SimDataPair;
class SimulationResult;
-namespace mumufit {
+namespace mumufit {
class MinimizerResult;
class Parameters;
-
} // namespace mumufit
//! Holds vector of SimDataPair%s (experimental data and simulation results) for use in fitting.
@@ -112,8 +111,6 @@ public:
bool containsUncertainties(size_t i_item) const;
bool allPairsHaveUncertainties() const;
- static std::string availableMetricOptions();
-
#ifndef SWIG
//! Returns a reference to i-th SimDataPair.
const SimDataPair& dataPair(size_t i_item = 0) const;
diff --git a/Sim/Fitting/FitPrintService.cpp b/Sim/Fitting/FitPrintService.cpp
index 3b68dd508f85b99e04c85e61f4f0a45aec4d0246..bd04f4c5554439fd43462e9dd3f75ac748b4d988 100644
--- a/Sim/Fitting/FitPrintService.cpp
+++ b/Sim/Fitting/FitPrintService.cpp
@@ -21,22 +21,6 @@
#include <iostream>
#include <sstream>
-namespace {
-
-size_t length_of_longest_name(const mumufit::Parameters& params)
-{
- size_t result(0);
- for (const auto& par : params) {
- if (par.name().size() > result)
- result = par.name().size();
- }
- return result;
-}
-
-} // namespace
-
-FitPrintService::FitPrintService() = default;
-
void FitPrintService::print(const FitObjective& objective)
{
std::ostringstream ostr;
@@ -47,7 +31,6 @@ void FitPrintService::print(const FitObjective& objective)
}
ostr << iterationHeaderString(objective);
- ostr << wallTimeString();
ostr << parameterString(objective);
if (objective.isCompleted())
@@ -60,19 +43,9 @@ std::string FitPrintService::iterationHeaderString(const FitObjective& objective
{
std::ostringstream result;
- result << "FitPrintService::update -> Info."
- << " NCall:" << objective.iterationInfo().iterationCount() << " Chi2:" << std::scientific
- << std::setprecision(8) << objective.iterationInfo().chi2() << "\n";
-
- return result.str();
-}
-
-std::string FitPrintService::wallTimeString()
-{
- std::ostringstream result;
-
m_last_call_time.stop();
- result << "Wall time since last call:" << std::fixed << std::setprecision(2)
+ result << "Fit iteration " << objective.iterationInfo().iterationCount() << " Chi2 "
+ << std::scientific << std::setprecision(8) << objective.iterationInfo().chi2() << " dt "
<< m_last_call_time.runTime() << "\n";
m_last_call_time.start();
@@ -83,14 +56,10 @@ std::string FitPrintService::parameterString(const FitObjective& objective)
{
std::ostringstream result;
- const auto params = objective.iterationInfo().parameters();
- const auto length = length_of_longest_name(params);
-
- for (const auto& par : params) {
- result << Base::String::padRight(par.name(), length) << std::scientific
- << std::setprecision(6) << " " << par.startValue() << " " << par.limits().toString()
- << " " << par.value() << "\n";
- }
+ result << "P";
+ for (const auto& par : objective.iterationInfo().parameters())
+ result << " " << std::scientific << std::setprecision(6) << par.value();
+ result << "\n";
return result.str();
}
diff --git a/Sim/Fitting/FitPrintService.h b/Sim/Fitting/FitPrintService.h
index c8493e9503cd0031f8a2181bf8e2f1106600c193..7555a6b80da542b7968159197fc40e21853aec0e 100644
--- a/Sim/Fitting/FitPrintService.h
+++ b/Sim/Fitting/FitPrintService.h
@@ -27,13 +27,10 @@ class FitObjective;
class FitPrintService {
public:
- FitPrintService();
-
void print(const FitObjective& objective);
private:
std::string iterationHeaderString(const FitObjective& objective);
- std::string wallTimeString();
std::string parameterString(const FitObjective& objective);
std::string fitResultString(const FitObjective& objective);
diff --git a/Sim/Fitting/FitStatus.h b/Sim/Fitting/FitStatus.h
index a726b4bd2ed2ef09f351a832e2c14cdc88f6cf52..88efcc979db99bd5f7bab02e84f816e05c85930d 100644
--- a/Sim/Fitting/FitStatus.h
+++ b/Sim/Fitting/FitStatus.h
@@ -23,12 +23,11 @@
#include <functional>
#include <vector>
+class FitObjective;
+class FitPrintService;
namespace mumufit {
-
class MinimizerResult;
}
-class FitObjective;
-class FitPrintService;
//! Contains status of the fitting (running, interupted etc) and all intermediate
//! information which has to be collected during the fit.
diff --git a/Sim/Fitting/FitTypes.h b/Sim/Fitting/FitTypes.h
index 9d252fc9974373b0a33636f5c7deac20a7ad4e0c..21ca33557dfc4ff58dbd80f97ad58640c0f17370 100644
--- a/Sim/Fitting/FitTypes.h
+++ b/Sim/Fitting/FitTypes.h
@@ -22,11 +22,11 @@
#include <memory>
class ISimulation;
-namespace mumufit {
+class FitObjective;
+namespace mumufit {
class Parameters;
}
-class FitObjective;
using simulation_builder_t =
std::function<std::unique_ptr<ISimulation>(const mumufit::Parameters&)>;
diff --git a/Tests/Examples/CMakeLists.txt b/Tests/Examples/CMakeLists.txt
index 0e7ce06bf7ba7f61ce9aaf5bafff0ce2813bd1bd..695b7ec09f9883c452f487e6a524b7ccde8508b9 100644
--- a/Tests/Examples/CMakeLists.txt
+++ b/Tests/Examples/CMakeLists.txt
@@ -201,7 +201,7 @@ run_example(varia/MaterialProfileWithParticles)
run_plotless(fit/algo/fit_rosenbrock)
run_plotless(fit/scatter2d/fit2d)
run_plotless(fit/scatter2d/custom_objective_function)
-run_example(fit/specular/FitSpecularBasics)
+run_example(fit/specular/Specular1Par)
run_manually(fit/specular/Pt_layer_fit)
run_manually(fit/specular/Honeycomb_fit)
# TODO restore (needs ParameterDistribution) # run_plotless(fit/scatter2d/expfit_galaxi)
diff --git a/Tests/Unit/Fit/MinimizerOptionsTest.cpp b/Tests/Unit/Fit/MinimizerOptionsTest.cpp
index 65c8db931ea84b3e32a325d73148b1cd1422b166..175d0499d2351e2cc7fd4c10a1c0fab7ba1b1a3c 100644
--- a/Tests/Unit/Fit/MinimizerOptionsTest.cpp
+++ b/Tests/Unit/Fit/MinimizerOptionsTest.cpp
@@ -1,4 +1,4 @@
-#include "Fit/Minimizer/MinimizerOptions.h"
+#include "Fit/Option/MinimizerOptions.h"
#include "Tests/GTestWrapper/google_test.h"
#include <exception>
diff --git a/Tests/Unit/Fit/MultiOptionTest.cpp b/Tests/Unit/Fit/MultiOptionTest.cpp
index b8fcf9d4f20885b6bc04f2ab762b6b737350cabf..35c670cb5e02242493d8aeb78bf65e588aa88460 100644
--- a/Tests/Unit/Fit/MultiOptionTest.cpp
+++ b/Tests/Unit/Fit/MultiOptionTest.cpp
@@ -1,4 +1,4 @@
-#include "Fit/Tools/MultiOption.h"
+#include "Fit/Option/MultiOption.h"
#include "Tests/GTestWrapper/google_test.h"
#include <string>
diff --git a/Tests/Unit/Fit/OptionContainerTest.cpp b/Tests/Unit/Fit/OptionContainerTest.cpp
index b8f630567936a87dcb39b8314c654af6bbab2823..878a6ba8b5fcb47eef06e4b004e8881f0000b645 100644
--- a/Tests/Unit/Fit/OptionContainerTest.cpp
+++ b/Tests/Unit/Fit/OptionContainerTest.cpp
@@ -1,4 +1,4 @@
-#include "Fit/Tools/OptionContainer.h"
+#include "Fit/Option/OptionContainer.h"
#include "Tests/GTestWrapper/google_test.h"
#include <exception>
diff --git a/Wrap/Python/ba_fitmonitor.py b/Wrap/Python/ba_fitmonitor.py
index e479b4d66faadbb7969a10e3dc39710e9fefb647..2c2c92fd053d42f432f8451b649962063eb341aa 100644
--- a/Wrap/Python/ba_fitmonitor.py
+++ b/Wrap/Python/ba_fitmonitor.py
@@ -145,8 +145,9 @@ class PlotterSpecular:
Draws fit progress, for specular simulation.
"""
- def __init__(self, units=ba.Coords_UNDEFINED):
+ def __init__(self, units=ba.Coords_UNDEFINED, pause=0.0):
self.units = units
+ self.pause = pause
self._fig = plt.figure(figsize=(10, 7))
self._fig.canvas.draw()
@@ -191,4 +192,8 @@ class PlotterSpecular:
plt.xlabel(xlabel, fontdict=font)
plt.ylabel("Intensity", fontdict=font)
if bp.do_show:
- plt.pause(0.3)
+ plt.pause(self.pause)
+
+ def show(self):
+ if bp.do_show:
+ plt.show()
diff --git a/auto/Examples/fit/specular/FitSpecularBasics.py b/auto/Examples/fit/specular/Specular1Par.py
similarity index 77%
rename from auto/Examples/fit/specular/FitSpecularBasics.py
rename to auto/Examples/fit/specular/Specular1Par.py
index 92077530a8e5651e71d5fa740dce1b5f6a8aabc7..a9347c473d1299f95601b31402a96f43c4afbaba 100755
--- a/auto/Examples/fit/specular/FitSpecularBasics.py
+++ b/auto/Examples/fit/specular/Specular1Par.py
@@ -14,22 +14,33 @@ import bornagain as ba
from bornagain import angstrom, ba_fitmonitor
+def load_data():
+ datadir = os.getenv('BA_DATA_DIR', '')
+ data_fname = os.path.join(datadir, "genx_alternating_layers.dat.gz")
+
+ expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
+ # convert double incident angle (degs) to incident angle (radians)
+ expdata[:, 0] *= np.pi/360
+
+ return (expdata[:, 0], expdata[:, 1])
+
+
def get_sample(P):
# Materials
vacuum = ba.MaterialBySLD()
- material_Ni = ba.MaterialBySLD("Ni", 9.4245e-06, 0)
material_Ti = ba.MaterialBySLD("Ti", -1.9493e-06, 0)
- material_Si = ba.MaterialBySLD("SiSubstrate", 2.0704e-06, 0)
+ material_Ni = ba.MaterialBySLD("Ni", 9.4245e-06, 0)
+ material_Si = ba.MaterialBySLD("Si", 2.0704e-06, 0)
# Multilayer
- ni_layer = ba.Layer(material_Ni, 70*angstrom)
- ti_layer = ba.Layer(material_Ti, P["ti_thickness"])
+ layer_Ti = ba.Layer(material_Ti, P["thickness_Ti"])
+ layer_Ni = ba.Layer(material_Ni, 70*angstrom)
sample = ba.MultiLayer()
sample.addLayer(ba.Layer(vacuum))
for _ in range(10):
- sample.addLayer(ti_layer)
- sample.addLayer(ni_layer)
+ sample.addLayer(layer_Ti)
+ sample.addLayer(layer_Ni)
sample.addLayer(ba.Layer(material_Si))
return sample
@@ -44,31 +55,22 @@ def get_simulation(P):
if __name__ == '__main__':
- datadir = os.getenv('BA_DATA_DIR', '')
- data_fname = os.path.join(datadir, "genx_alternating_layers.dat.gz")
-
- expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
- # convert double incident angle (degs) to incident angle (radians)
- expdata[:, 0] *= np.pi/360
-
global exp_x
- exp_x = expdata[:, 0]
- exp_y = expdata[:, 1]
+ exp_x, exp_y = load_data()
fit_objective = ba.FitObjective()
fit_objective.addSimulationAndData(get_simulation, exp_y, 1)
- plot_observer = ba_fitmonitor.PlotterSpecular()
+ plot_observer = ba_fitmonitor.PlotterSpecular(pause=0.5)
fit_objective.initPrint(10)
fit_objective.initPlot(10, plot_observer)
P = ba.Parameters()
- P.add("ti_thickness", 50*angstrom, min=10*angstrom, max=60*angstrom)
+ P.add("thickness_Ti", 50*angstrom, min=10*angstrom, max=60*angstrom)
minimizer = ba.Minimizer()
result = minimizer.minimize(fit_objective.evaluate, P)
fit_objective.finalize(result)
- if ba.ba_plot.do_show:
- plt.show()
+ plot_observer.show()
diff --git a/auto/MiniExamples/fit/specular/FitSpecularBasics.py b/auto/MiniExamples/fit/specular/Specular1Par.py
similarity index 77%
rename from auto/MiniExamples/fit/specular/FitSpecularBasics.py
rename to auto/MiniExamples/fit/specular/Specular1Par.py
index 92077530a8e5651e71d5fa740dce1b5f6a8aabc7..a9347c473d1299f95601b31402a96f43c4afbaba 100755
--- a/auto/MiniExamples/fit/specular/FitSpecularBasics.py
+++ b/auto/MiniExamples/fit/specular/Specular1Par.py
@@ -14,22 +14,33 @@ import bornagain as ba
from bornagain import angstrom, ba_fitmonitor
+def load_data():
+ datadir = os.getenv('BA_DATA_DIR', '')
+ data_fname = os.path.join(datadir, "genx_alternating_layers.dat.gz")
+
+ expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
+ # convert double incident angle (degs) to incident angle (radians)
+ expdata[:, 0] *= np.pi/360
+
+ return (expdata[:, 0], expdata[:, 1])
+
+
def get_sample(P):
# Materials
vacuum = ba.MaterialBySLD()
- material_Ni = ba.MaterialBySLD("Ni", 9.4245e-06, 0)
material_Ti = ba.MaterialBySLD("Ti", -1.9493e-06, 0)
- material_Si = ba.MaterialBySLD("SiSubstrate", 2.0704e-06, 0)
+ material_Ni = ba.MaterialBySLD("Ni", 9.4245e-06, 0)
+ material_Si = ba.MaterialBySLD("Si", 2.0704e-06, 0)
# Multilayer
- ni_layer = ba.Layer(material_Ni, 70*angstrom)
- ti_layer = ba.Layer(material_Ti, P["ti_thickness"])
+ layer_Ti = ba.Layer(material_Ti, P["thickness_Ti"])
+ layer_Ni = ba.Layer(material_Ni, 70*angstrom)
sample = ba.MultiLayer()
sample.addLayer(ba.Layer(vacuum))
for _ in range(10):
- sample.addLayer(ti_layer)
- sample.addLayer(ni_layer)
+ sample.addLayer(layer_Ti)
+ sample.addLayer(layer_Ni)
sample.addLayer(ba.Layer(material_Si))
return sample
@@ -44,31 +55,22 @@ def get_simulation(P):
if __name__ == '__main__':
- datadir = os.getenv('BA_DATA_DIR', '')
- data_fname = os.path.join(datadir, "genx_alternating_layers.dat.gz")
-
- expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
- # convert double incident angle (degs) to incident angle (radians)
- expdata[:, 0] *= np.pi/360
-
global exp_x
- exp_x = expdata[:, 0]
- exp_y = expdata[:, 1]
+ exp_x, exp_y = load_data()
fit_objective = ba.FitObjective()
fit_objective.addSimulationAndData(get_simulation, exp_y, 1)
- plot_observer = ba_fitmonitor.PlotterSpecular()
+ plot_observer = ba_fitmonitor.PlotterSpecular(pause=0.5)
fit_objective.initPrint(10)
fit_objective.initPlot(10, plot_observer)
P = ba.Parameters()
- P.add("ti_thickness", 50*angstrom, min=10*angstrom, max=60*angstrom)
+ P.add("thickness_Ti", 50*angstrom, min=10*angstrom, max=60*angstrom)
minimizer = ba.Minimizer()
result = minimizer.minimize(fit_objective.evaluate, P)
fit_objective.finalize(result)
- if ba.ba_plot.do_show:
- plt.show()
+ plot_observer.show()
diff --git a/auto/Wrap/libBornAgainSim.py b/auto/Wrap/libBornAgainSim.py
index 13bd329ffdc6584268e18a696a39b5f92c12b793..0ed39a6320fb8947cc0463446fa154abdde7ec7f 100644
--- a/auto/Wrap/libBornAgainSim.py
+++ b/auto/Wrap/libBornAgainSim.py
@@ -2434,11 +2434,6 @@ class FitObjective(object):
r"""allPairsHaveUncertainties_cpp(FitObjective self) -> bool"""
return _libBornAgainSim.FitObjective_allPairsHaveUncertainties_cpp(self)
- @staticmethod
- def availableMetricOptions():
- r"""availableMetricOptions() -> std::string"""
- return _libBornAgainSim.FitObjective_availableMetricOptions()
-
def addSimulationAndData(self, callback, data, *args, **kwargs):
"""
Sets simulation and experimental data to the fit objective.
diff --git a/auto/Wrap/libBornAgainSim_wrap.cpp b/auto/Wrap/libBornAgainSim_wrap.cpp
index 1c66c8dbf1ac7ea7e0b8e10be7223c413d03536a..3bc782622b103b6733f0819bb2471920f16d233d 100644
--- a/auto/Wrap/libBornAgainSim_wrap.cpp
+++ b/auto/Wrap/libBornAgainSim_wrap.cpp
@@ -31856,19 +31856,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_FitObjective_availableMetricOptions(PyObject *self, PyObject *args) {
- PyObject *resultobj = 0;
- std::string result;
-
- if (!SWIG_Python_UnpackTuple(args, "FitObjective_availableMetricOptions", 0, 0, 0)) SWIG_fail;
- result = FitObjective::availableMetricOptions();
- resultobj = SWIG_From_std_string(static_cast< std::string >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_disown_FitObjective(PyObject *self, PyObject *args) {
PyObject *resultobj = 0;
FitObjective *arg1 = (FitObjective *) 0 ;
@@ -36295,7 +36282,6 @@ static PyMethodDef SwigMethods[] = {
""},
{ "FitObjective_containsUncertainties_cpp", _wrap_FitObjective_containsUncertainties_cpp, METH_VARARGS, "FitObjective_containsUncertainties_cpp(FitObjective self, size_t i_item) -> bool"},
{ "FitObjective_allPairsHaveUncertainties_cpp", _wrap_FitObjective_allPairsHaveUncertainties_cpp, METH_O, "FitObjective_allPairsHaveUncertainties_cpp(FitObjective self) -> bool"},
- { "FitObjective_availableMetricOptions", _wrap_FitObjective_availableMetricOptions, METH_NOARGS, "FitObjective_availableMetricOptions() -> std::string"},
{ "disown_FitObjective", _wrap_disown_FitObjective, METH_O, NULL},
{ "FitObjective_swigregister", FitObjective_swigregister, METH_O, NULL},
{ "FitObjective_swiginit", FitObjective_swiginit, METH_VARARGS, NULL},
diff --git a/hugo/content/py/fit/extended/fit-specular-data/index.md b/hugo/content/py/fit/extended/fit-specular-data/index.md
index dc153925aa7e7f1ada2f566f42c95009c62f3380..85010d2b63a58c94198c1a072f14faceb0113725 100644
--- a/hugo/content/py/fit/extended/fit-specular-data/index.md
+++ b/hugo/content/py/fit/extended/fit-specular-data/index.md
@@ -14,7 +14,7 @@ layers. The reference data was obtained under the following assumptions:
* Thickness value was $3 \, nm$
{{< galleryscg >}}
-{{< figscg src="/files/fitted/FitSpecularBasics.png" width="600px" caption="Fit window">}}
+{{< figscg src="/files/fitted/Specular1Par.png" width="600px" caption="Fit window">}}
{{< /galleryscg >}}
The fit view produced by running the fitting script is shown in the picture.
@@ -44,6 +44,6 @@ in the BornAgain directory.
### Complete script and data
-{{< show-ex file="fit/specular/FitSpecularBasics.py" >}}
+{{< show-ex file="fit/specular/Specular1Par.py" >}}
Data to be fitted: {{% ref-ex "data/genx_interchanging_layers.dat.gz" %}}
diff --git a/rawEx/fit/specular/FitSpecularBasics.py b/rawEx/fit/specular/Specular1Par.py
similarity index 77%
rename from rawEx/fit/specular/FitSpecularBasics.py
rename to rawEx/fit/specular/Specular1Par.py
index 92077530a8e5651e71d5fa740dce1b5f6a8aabc7..a9347c473d1299f95601b31402a96f43c4afbaba 100755
--- a/rawEx/fit/specular/FitSpecularBasics.py
+++ b/rawEx/fit/specular/Specular1Par.py
@@ -14,22 +14,33 @@ import bornagain as ba
from bornagain import angstrom, ba_fitmonitor
+def load_data():
+ datadir = os.getenv('BA_DATA_DIR', '')
+ data_fname = os.path.join(datadir, "genx_alternating_layers.dat.gz")
+
+ expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
+ # convert double incident angle (degs) to incident angle (radians)
+ expdata[:, 0] *= np.pi/360
+
+ return (expdata[:, 0], expdata[:, 1])
+
+
def get_sample(P):
# Materials
vacuum = ba.MaterialBySLD()
- material_Ni = ba.MaterialBySLD("Ni", 9.4245e-06, 0)
material_Ti = ba.MaterialBySLD("Ti", -1.9493e-06, 0)
- material_Si = ba.MaterialBySLD("SiSubstrate", 2.0704e-06, 0)
+ material_Ni = ba.MaterialBySLD("Ni", 9.4245e-06, 0)
+ material_Si = ba.MaterialBySLD("Si", 2.0704e-06, 0)
# Multilayer
- ni_layer = ba.Layer(material_Ni, 70*angstrom)
- ti_layer = ba.Layer(material_Ti, P["ti_thickness"])
+ layer_Ti = ba.Layer(material_Ti, P["thickness_Ti"])
+ layer_Ni = ba.Layer(material_Ni, 70*angstrom)
sample = ba.MultiLayer()
sample.addLayer(ba.Layer(vacuum))
for _ in range(10):
- sample.addLayer(ti_layer)
- sample.addLayer(ni_layer)
+ sample.addLayer(layer_Ti)
+ sample.addLayer(layer_Ni)
sample.addLayer(ba.Layer(material_Si))
return sample
@@ -44,31 +55,22 @@ def get_simulation(P):
if __name__ == '__main__':
- datadir = os.getenv('BA_DATA_DIR', '')
- data_fname = os.path.join(datadir, "genx_alternating_layers.dat.gz")
-
- expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
- # convert double incident angle (degs) to incident angle (radians)
- expdata[:, 0] *= np.pi/360
-
global exp_x
- exp_x = expdata[:, 0]
- exp_y = expdata[:, 1]
+ exp_x, exp_y = load_data()
fit_objective = ba.FitObjective()
fit_objective.addSimulationAndData(get_simulation, exp_y, 1)
- plot_observer = ba_fitmonitor.PlotterSpecular()
+ plot_observer = ba_fitmonitor.PlotterSpecular(pause=0.5)
fit_objective.initPrint(10)
fit_objective.initPlot(10, plot_observer)
P = ba.Parameters()
- P.add("ti_thickness", 50*angstrom, min=10*angstrom, max=60*angstrom)
+ P.add("thickness_Ti", 50*angstrom, min=10*angstrom, max=60*angstrom)
minimizer = ba.Minimizer()
result = minimizer.minimize(fit_objective.evaluate, P)
fit_objective.finalize(result)
- if ba.ba_plot.do_show:
- plt.show()
+ plot_observer.show()