Removed mpfit, replaced with nlopt

aglowacki · Oct 3, 2024 · 15cd7d5 · 15cd7d5
1 parent 8e766fa
commit 15cd7d5
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Showing 11 changed files with 134 additions and 182 deletions.
diff --git a/src/mvc/BatchRoiFitWidget.cpp b/src/mvc/BatchRoiFitWidget.cpp
@@ -51,12 +51,6 @@ void BatchRoiFitWidget::createLayout()
     connect(_btn_cancel, &QPushButton::released, this, &BatchRoiFitWidget::onClose);
 
     _le_detectors = new QLineEdit("0,1,2,3,4,5,6");
-
-    _cb_opt_method = new QComboBox();
-    _cb_opt_method->addItem(STR_NL_FIT);
-    _cb_opt_method->addItem(STR_HYBRID_MP_FIT);
-    _cb_opt_method->addItem(STR_MP_FIT);
-    connect(_cb_opt_method, &QComboBox::currentTextChanged, this, &BatchRoiFitWidget::optimizer_changed);
 
     _file_list_model = new QStandardItemModel();
     _file_list_view = new QListView();
@@ -81,11 +75,10 @@ void BatchRoiFitWidget::createLayout()
 
     _optimizer_widget = new OptimizerOptionsWidget();
     fitting::optimizers::NLOPT_Optimizer<double> optimizer;
-    _optimizer_widget->setOptimizer(STR_NL_FIT, optimizer);
+    _optimizer_widget->setOptimizer(optimizer);
 
     QVBoxLayout* layout = new QVBoxLayout();
     layout->addItem(detector_hbox);
-    layout->addWidget(_cb_opt_method);
     layout->addWidget(_optimizer_widget);
     layout->addWidget(_file_list_view);
     layout->addItem(buttonlayout);
@@ -97,20 +90,6 @@ void BatchRoiFitWidget::createLayout()
 
 //---------------------------------------------------------------------------
 
-void BatchRoiFitWidget::optimizer_changed(QString val)
-{
-    if (val == STR_NL_FIT)
-    {
-        fitting::optimizers::NLOPT_Optimizer<double> optimizer;
-        _optimizer_widget->setOptimizer(val, optimizer);
-    }
-    else if (val == STR_MP_FIT || val == STR_HYBRID_MP_FIT)
-    {
-        fitting::optimizers::MPFit_Optimizer<double> mpfit_optimizer;
-        _optimizer_widget->setOptimizer(val, mpfit_optimizer);
-    }
-}
-
 void BatchRoiFitWidget::onClose()
 {
     _canceled = true;
@@ -189,27 +168,17 @@ void BatchRoiFitWidget::runProcessing()
     QCoreApplication::processEvents();
     data_struct::Analysis_Job<double> analysis_job;
 
-    QString val = _cb_opt_method->currentText();
-    analysis_job.set_optimizer(val.toStdString());
-
+    //analysis_job.set_optimizer_algorithm();
 
     //run in thread
     analysis_job.dataset_directory = _directory;
-    if (_cb_opt_method->currentText() == STR_HYBRID_MP_FIT)
+    if (_optimizer_widget->isHybrid())
     {
-        analysis_job.set_optimizer("nlopt");
         analysis_job.optimize_fit_routine = OPTIMIZE_FIT_ROUTINE::HYBRID;
     }
     else
     {
-        if (_cb_opt_method->currentText() == STR_MP_FIT)
-        {
-            analysis_job.set_optimizer("mpfit");
-        }
-        else
-        {
-            analysis_job.set_optimizer("nlopt");
-        }
+        analysis_job.optimize_fit_routine = OPTIMIZE_FIT_ROUTINE::ALL_PARAMS;
     }
 
     _optimizer_widget->updateOptimizerOptions(*(analysis_job.optimizer()));

diff --git a/src/mvc/BatchRoiFitWidget.h b/src/mvc/BatchRoiFitWidget.h
@@ -56,8 +56,6 @@ class BatchRoiFitWidget : public QWidget
 
 public slots:
     void runProcessing();
-
-    void optimizer_changed(QString val);
 
     void onClose();
 
@@ -86,8 +84,6 @@ public slots:
 
    QLineEdit* _le_detectors;
 
-   QComboBox* _cb_opt_method;
-
    std::unordered_map<QString, QFileInfo> _roi_map;
 
    size_t _total_itr;

diff --git a/src/mvc/FitElementsTableModel.h b/src/mvc/FitElementsTableModel.h
@@ -46,7 +46,7 @@ class FitElementsTableModel
 
    ~FitElementsTableModel();
 
-   void setDisplayHeaderMinMax(bool val);
+   //void setDisplayHeaderMinMax(bool val);
 
    data_struct::Fit_Element_Map_Dict<double> getElementsToFit();
 

diff --git a/src/mvc/FitSpectraWidget.cpp b/src/mvc/FitSpectraWidget.cpp
@@ -249,13 +249,6 @@ void FitSpectraWidget::createLayout()
     _cb_fitting_preset->addItem("Fit No Tails Energy Quadratic");
     connect(_cb_fitting_preset, &QComboBox::currentIndexChanged, this, &FitSpectraWidget::optimizer_preset_changed);
 
-
-    _cb_opttimizer = new QComboBox();
-    _cb_opttimizer->addItem(STR_NL_FIT);
-    _cb_opttimizer->addItem(STR_HYBRID_MP_FIT);
-    _cb_opttimizer->addItem(STR_MP_FIT);
-//    connect(_cb_opttimizer, &QComboBox::currentTextChanged, this, &FitSpectraWidget::optimizer_changed);
-
     _chk_auto_model = new QCheckBox("Auto Update Model");
     _chk_auto_model->setChecked(false);
     connect(_chk_auto_model,
@@ -272,7 +265,6 @@ void FitSpectraWidget::createLayout()
         orient_layout = new QHBoxLayout();
         //splitter->setOrientation(Qt::Horizontal);
         grid_layout->addWidget(_cb_fitting_preset, 0, 0);
-        grid_layout->addWidget(_cb_opttimizer, 0, 1);
 
         grid_layout->addWidget(_btn_fit_spectra, 1, 0);
         grid_layout->addWidget(_btn_fit_roi_spectra, 1, 1);
@@ -288,7 +280,6 @@ void FitSpectraWidget::createLayout()
         orient_layout = new QVBoxLayout();
 	    //splitter->setOrientation(Qt::Vertical);
         grid_layout->addWidget(_cb_fitting_preset, 0, 0);
-        grid_layout->addWidget(_cb_opttimizer, 0, 1);
         grid_layout->addWidget(_chk_auto_model, 0, 2);
         grid_layout->addWidget(_btn_export_csv, 0, 3);
 
@@ -317,8 +308,6 @@ void FitSpectraWidget::createLayout()
     _cb_fitting_preset->setCurrentIndex(3);
     //optimizer_preset_changed(3); // batch with tails
 
-    _cb_opttimizer->setCurrentText(STR_NL_FIT);
-
     QLayout* layout = new QVBoxLayout();
 //	layout->addWidget(splitter);
 	layout->addItem(orient_layout);
@@ -903,7 +892,7 @@ void FitSpectraWidget::Fit_Spectra_Click()
             _fitting_dialog = new FittingDialog();
         }
         _fitting_dialog->updateFitParams(out_fit_params, element_fit_params);
-        _fitting_dialog->setOptimizer(_cb_opttimizer->currentText());
+       // _fitting_dialog->setOptimizer(_cb_opttimizer->currentText());
         _fitting_dialog->setSpectra((Spectra<double>*)_int_spec, _ev);
         _fitting_dialog->setElementsToFit(_elements_to_fit);
         if (_fit_spec.size() > 0)
@@ -1054,7 +1043,7 @@ void FitSpectraWidget::Fit_ROI_Spectra_Click()
             _fitting_dialog = new FittingDialog();
         }
         _fitting_dialog->updateFitParams(out_fit_params, element_fit_params);
-        _fitting_dialog->setOptimizer(_cb_opttimizer->currentText());
+        //_fitting_dialog->setOptimizer(_cb_opttimizer->currentText());
         _fitting_dialog->setSpectra((Spectra<double>*)roi_spec, _ev);
         _fitting_dialog->setElementsToFit(_elements_to_fit);
         if (_fit_spec.size() > 0)

diff --git a/src/mvc/FitSpectraWidget.h b/src/mvc/FitSpectraWidget.h
@@ -108,8 +108,6 @@ public slots:
 
    void check_auto_model(int state);
 
-   //void optimizer_changed(QString val);
-
    void optimizer_preset_changed(int idx);
 
 //   void element_clicked(QModelIndex index);
@@ -193,8 +191,6 @@ private slots:
 
     QCheckBox *_chk_auto_model;
 
-    QComboBox *_cb_opttimizer;
-
     QComboBox *_cb_fitting_preset;
 
     QTabWidget *_fit_params_tab_widget;

diff --git a/src/mvc/FittingDialog.cpp b/src/mvc/FittingDialog.cpp
@@ -25,10 +25,25 @@ FittingDialog::FittingDialog(QWidget *parent) : QDialog(parent)
     _accepted = false;
     _canceled = false;
     _running = false;
-    _is_hybrid_fit = false;
     _elements_to_fit = nullptr;
     _param_fit_routine.set_update_coherent_amplitude_on_fit(false);
+    _param_fit_routine.set_optimizer(&_nlopt_optimizer);
     _hybrid_fit_routine.set_update_coherent_amplitude_on_fit(false);
+    _hybrid_fit_routine.set_optimizer(&_nlopt_optimizer);
+
+/*
+void FittingDialog::setOptimizer(QString opt)
+{
+        _param_fit_routine.set_optimizer(_optimizer);
+   
+        _is_hybrid_fit = true;
+        _hybrid_fit_routine.set_optimizer(_optimizer);
+    }
+    _optimizer_widget->setOptimizer(opt, _nlopt_optimizer);
+}
+
+*/
+
     ////_model.set_num_threads(std::thread::hardware_concurrency());
     _createLayout();
 }
@@ -143,6 +158,7 @@ void FittingDialog::_createLayout()
     hbox_progresss_blocks->addWidget(_progressBarBlocks);
 
     _optimizer_widget = new OptimizerOptionsWidget();
+    _optimizer_widget->setOptimizer(_nlopt_optimizer);
 
     QVBoxLayout* layout = new QVBoxLayout();
 
@@ -211,31 +227,6 @@ void FittingDialog::updateFitParams(data_struct::Fit_Parameters<double> out_fit_
 	_btn_accept->setEnabled(false);
 }
 
-//---------------------------------------------------------------------------
-
-void FittingDialog::setOptimizer(QString opt)
-{
-    if (opt == STR_NL_FIT)
-    {
-        _optimizer = &_nlfit_optimizer;
-        _param_fit_routine.set_optimizer(_optimizer);
-    }
-    else if (opt == STR_MP_FIT)
-    {
-        _optimizer = &_mpfit_optimizer;
-        _param_fit_routine.set_optimizer(_optimizer);
-        _is_hybrid_fit = false;
-    }
-    else if (opt == STR_HYBRID_MP_FIT)
-    {
-        _optimizer = &_nlfit_optimizer;
-        _is_hybrid_fit = true;
-        _hybrid_fit_routine.set_optimizer(_optimizer);
-    }
-    _optimizer_widget->setOptimizer(opt, *_optimizer);
-}
-
-
 //---------------------------------------------------------------------------
 
 void FittingDialog::setSpectra(data_struct::Spectra<double>* spectra, ArrayDr energy)
@@ -366,8 +357,7 @@ void FittingDialog::runProcessing()
 
         bool use_weights = _optimizer_widget->useWeights();
 
-        _optimizer_widget->updateOptimizerOptions(*_optimizer);
-
+        _optimizer_widget->updateOptimizerOptions(_nlopt_optimizer);
         //data_struct::Spectra s1 = _integrated_spectra.sub_spectra(energy_range);
 
         //Fitting routines
@@ -384,7 +374,7 @@ void FittingDialog::runProcessing()
         //_model.set_fit_params_preset(fitting::models::Fit_Params_Preset::BATCH_FIT_WITH_TAILS);
 
         //Initialize the fit routine
-        if (_is_hybrid_fit)
+        if (_optimizer_widget->isHybrid())
         {
             _hybrid_fit_routine.initialize(&_model, _elements_to_fit, _energy_range);
         }
@@ -400,7 +390,7 @@ void FittingDialog::runProcessing()
         Callback_Func_Status_Def cb_func = std::bind(&FittingDialog::status_callback, this, std::placeholders::_1, std::placeholders::_2);
         try
         {
-            if (_is_hybrid_fit)
+            if (_optimizer_widget->isHybrid())
             {
                 _outcome = _hybrid_fit_routine.fit_spectra_parameters(&_model, &_int_spec, _elements_to_fit, use_weights, _new_out_fit_params, &cb_func);
             }
@@ -412,7 +402,7 @@ void FittingDialog::runProcessing()
             std::string out_str = optimizer_outcome_to_str(_outcome);
             _le_outcome->setText(QString(out_str.c_str()));
 
-            std::string det_out = _optimizer->get_last_detailed_outcome();
+            std::string det_out = _nlopt_optimizer.get_last_detailed_outcome();
             _le_detailed_outcome->setText(QString(det_out.c_str()));
 
             if (_new_out_fit_params.contains(STR_RESIDUAL))

diff --git a/src/mvc/FittingDialog.h b/src/mvc/FittingDialog.h
@@ -33,7 +33,6 @@
 #include "mvc/FitParamsTableModel.h"
 #include "mvc/SpectraWidget.h"
 #include "fitting//optimizers/nlopt_optimizer.h"
-#include "fitting//optimizers/mpfit_optimizer.h"
 #include "fitting/routines/param_optimized_fit_routine.h"
 #include "fitting/routines/hybrid_param_nnls_fit_routine.h"
 #include "fitting/models/gaussian_model.h"
@@ -65,8 +64,6 @@ class FittingDialog : public QDialog
 
     void status_callback(size_t cur_block, size_t total_blocks);
 
-    void setOptimizer(QString opt);
-
     bool accepted_fit() { return _accepted; }
 
     void setSpectra(data_struct::Spectra<double>* spectra, ArrayDr energy);
@@ -151,11 +148,7 @@ public slots:
 
    OptimizerOptionsWidget* _optimizer_widget;
 
-   fitting::optimizers::NLOPT_Optimizer<double> _nlfit_optimizer;
-
-   fitting::optimizers::MPFit_Optimizer<double> _mpfit_optimizer;
-
-   fitting::optimizers::Optimizer<double>*_optimizer;
+   fitting::optimizers::NLOPT_Optimizer<double> _nlopt_optimizer;
 
    std::unordered_map<std::string, ArrayDr> _labeled_spectras;
 
@@ -185,8 +178,6 @@ public slots:
 
    ArrayDr _spectra_background;
 
-   bool _is_hybrid_fit;
-
    // energy vector
    ArrayDr _ev;
 

diff --git a/src/mvc/MapsH5Model.h b/src/mvc/MapsH5Model.h
@@ -19,7 +19,6 @@
 #include "core/defines.h"
 #include "io/file/hdf5_io.h"
 #include "fitting/routines/param_optimized_fit_routine.h"
-#include "fitting/optimizers/mpfit_optimizer.h"
 #include "fitting/models/gaussian_model.h"
 #include "data_struct/stream_block.h"