1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
|
// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file GUI/View/FitControl/FitObjectiveBuilder.cpp
//! @brief Implements class FitObjectiveBuilder.
//!
//! @homepage http://www.bornagainproject.org
//! @license GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2018
//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
// ************************************************************************************************
#include "GUI/View/FitControl/FitObjectiveBuilder.h"
#include "Base/Util/Assert.h"
#include "Device/Data/Datafield.h"
#include "Fit/Kernel/Minimizer.h"
#include "Fit/Minimizer/IMinimizer.h"
#include "GUI/Model/Data/DataItem.h"
#include "GUI/Model/File/DatafileItem.h"
#include "GUI/Model/Job/JobItem.h"
#include "GUI/Model/Mini/MinimizerItems.h"
#include "GUI/Model/ToCore/SimulationToCore.h"
#include "GUI/Model/Tune/FitParameterContainerItem.h"
#include "GUI/Model/Tune/FitSuiteItem.h"
#include "GUI/View/FitControl/GUIFitObserver.h"
#include "Sim/Fitting/FitObjective.h"
#include "Sim/Fitting/ObjectiveMetric.h"
#include "Sim/Simulation/ISimulation.h"
FitObjectiveBuilder::FitObjectiveBuilder(JobItem* jobItem)
: m_job_item(jobItem)
{
ASSERT(m_job_item);
ASSERT(m_job_item->fitSuiteItem());
}
FitObjectiveBuilder::~FitObjectiveBuilder() = default;
void FitObjectiveBuilder::runFit()
{
m_fit_objective = createFitObjective();
m_fit_objective->setObjectiveMetric(
m_job_item->fitSuiteItem()->minimizerContainerItem()->createMetric());
if (m_observer) {
fit_observer_t plot_observer = [&](const FitObjective& obj) { m_observer->update(&obj); };
m_fit_objective->initPlot(1, std::move(plot_observer));
}
auto minimizer_impl = createMinimizer();
const bool requires_residuals = minimizer_impl->requiresResiduals();
mumufit::Minimizer minimizer;
minimizer.setMinimizer(minimizer_impl.release());
auto result = requires_residuals ? minimizer.minimize(
[&](const mumufit::Parameters& params) {
return m_fit_objective->evaluate_residuals(params);
},
createParameters())
: minimizer.minimize(
[&](const mumufit::Parameters& params) {
return m_fit_objective->evaluate(params);
},
createParameters());
m_fit_objective->finalize(result);
}
std::unique_ptr<FitObjective> FitObjectiveBuilder::createFitObjective() const
{
auto result = std::make_unique<FitObjective>();
simulation_builder_t builder = [&](const mumufit::Parameters& params) {
return buildSimulation(params);
};
const auto* dfile_item = m_job_item->dfileItem();
ASSERT(dfile_item);
const DataItem* intensity_item = dfile_item->dataItem();
ASSERT(intensity_item);
ASSERT(intensity_item->c_field());
std::unique_ptr<Datafield> data(intensity_item->c_field()->clone());
result->addFitPair(builder, *data, 1.0);
return result;
}
std::unique_ptr<IMinimizer> FitObjectiveBuilder::createMinimizer() const
{
return m_job_item->fitSuiteItem()->minimizerContainerItem()->createMinimizer();
}
mumufit::Parameters FitObjectiveBuilder::createParameters() const
{
return m_job_item->fitSuiteItem()->fitParameterContainerItem()->createParameters();
}
void FitObjectiveBuilder::attachObserver(std::shared_ptr<GUIFitObserver> observer)
{
m_observer = observer;
}
void FitObjectiveBuilder::interruptFitting()
{
m_fit_objective->interruptFitting();
}
std::unique_ptr<ISimulation>
FitObjectiveBuilder::buildSimulation(const mumufit::Parameters& params) const
{
static std::mutex build_simulation_mutex;
std::unique_lock<std::mutex> lock(build_simulation_mutex);
update_fit_parameters(params);
return GUI::ToCore::itemsToSimulation(m_job_item->sampleItem(), m_job_item->instrumentItem(),
m_job_item->simulationOptionsItem());
}
void FitObjectiveBuilder::update_fit_parameters(const mumufit::Parameters& params) const
{
auto* fitParContainer = m_job_item->fitSuiteItem()->fitParameterContainerItem();
fitParContainer->setValuesInParameterContainer(params.values(),
m_job_item->parameterContainerItem());
}
|
