Removed mpfit, replaced with nlopt

aglowacki · Oct 3, 2024 · 1fcd52a · 1fcd52a
1 parent 1a65881
commit 1fcd52a
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Showing 17 changed files with 92 additions and 4,365 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -218,7 +218,6 @@ ENDIF()
 #--------------- start xrf lib -----------------
 set(libxrf_fit_HEADERS
     src/core/defines.h
-    src/support/cmpfit-1.3a/mpfit.hpp
     src/support/nnls/nnls.hpp
     src/data_struct/quantification_standard.h
     src/data_struct/element_quant.h
@@ -243,7 +242,6 @@ set(libxrf_fit_HEADERS
     src/fitting/routines/nnls_fit_routine.h
     src/fitting/routines/hybrid_param_nnls_fit_routine.h
     src/fitting/optimizers/optimizer.h
-    src/fitting/optimizers/mpfit_optimizer.h
     src/fitting/optimizers/nlopt_optimizer.h
     src/data_struct/detector.h
     src/stats/correlation_coefficient.h
@@ -269,7 +267,6 @@ set(libxrf_fit_SOURCE
     src/fitting/routines/nnls_fit_routine.cpp
     src/fitting/routines/hybrid_param_nnls_fit_routine.cpp
     src/fitting/optimizers/optimizer.cpp
-    src/fitting/optimizers/mpfit_optimizer.cpp
     src/fitting/optimizers/nlopt_optimizer.cpp
     src/data_struct/detector.cpp
     src/data_struct/analysis_job.cpp

diff --git a/src/core/main.cpp b/src/core/main.cpp
@@ -78,7 +78,7 @@ void help()
     logit_s<<"--optimize-fit-override-params : <int> Integrate the 8 largest mda datasets and fit with multiple params.\n"<<
                "  0 = use override file\n  1 = matrix batch fit\n  2 = batch fit without tails\n  3 = batch fit with tails\n  4 = batch fit with free E, everything else fixed \n  5 = batch fit without tails, and fit energy quadratic\n";
     logit_s<<"--optimize-fit-routine : <general,hybrid> General (default): passes elements amplitudes as fit parameters. Hybrid only passes fit parameters and fits element amplitudes using NNLS\n";
-    logit_s<<"--optimizer <lmfit, mpfit> : Choose which optimizer to use for --optimize-fit-override-params or matrix fit routine \n";
+    //logit_s<<"--optimizer <lmfit, mpfit> : Choose which optimizer to use for --optimize-fit-override-params or matrix fit routine \n";
    // logit_s<<"--optimizer-fx-tols <tol_override_val> : F_TOL, X_TOL, Default is LM_FIT = " << DP_LM_USERTOL << " , MP_FIT = " << 1.192e-10 << "\n";
    // logit_s<<"--optimizer-fxg-tols <tol_override_val> : F_TOL, X_TOL, G_TOL, Default is LM_FIT = " << DP_LM_USERTOL << " , MP_FIT = " << 1.192e-10 << "\n";
     logit_s<<"--optimizer-use-weights : Calculate and use weights for residual error function.\n";

diff --git a/src/core/process_whole.cpp b/src/core/process_whole.cpp
@@ -465,7 +465,7 @@ bool perform_quantification(data_struct::Analysis_Job<double>* analysis_job, boo
 
                     logI << Fitting_Routine_To_Str.at(fit_itr.first) << " " << quant_itr.first << "\n";
                     Fit_Parameters<double> fit_params;
-                    // min, and max values doen't matter because we are free fitting in mpfit and lmfit
+                    // min, and max values doen't matter because we are free fitting amplitude only
                     fit_params.add_parameter(Fit_Param<double>("quantifier", 0.0, std::numeric_limits<double>::max()/2.0, 1.0, 0.0001, E_Bound_Type::FIT));
                     //initial guess: parinfo_value[0] = 100000.0 / factor
                     fit_params["quantifier"].value = (double)100000.0 / quant_itr.second;

diff --git a/src/data_struct/analysis_job.cpp b/src/data_struct/analysis_job.cpp
@@ -163,16 +163,17 @@ void Analysis_Job<T_real>::init_fit_routines(size_t spectra_samples,  bool force
 template<typename T_real>
 void Analysis_Job<T_real>::set_optimizer(std::string optimizer)
 {
-    if(optimizer == "mpfit")
+    /* // todo change nlopt optimzier
+    if(optimizer == "")
     {
-        logI << "Setting optimizer to MPFIT\n";
-        _optimizer = &_mpfit_optimizer;
+        logI << "Setting optimizer to \n";
     }
     else
     {
         logI << "Setting optimizer to NLOPT\n";
         _optimizer = &_nlopt_optimizer;
     }
+    */
 }
 
 //-----------------------------------------------------------------------------

diff --git a/src/data_struct/analysis_job.h b/src/data_struct/analysis_job.h
@@ -59,7 +59,6 @@ POSSIBILITY OF SUCH DAMAGE.
 #include <thread>
 #include "data_struct/quantification_standard.h"
 #include "data_struct/params_override.h"
-#include "fitting/optimizers/mpfit_optimizer.h"
 #include "fitting/optimizers/nlopt_optimizer.h"
 
 namespace data_struct
@@ -159,9 +158,7 @@ class DLL_EXPORT Analysis_Job
     std::vector<Quantification_Standard<T_real>> standard_element_weights;
 
 protected:
-
     //Optimizers for fitting models
-    fitting::optimizers::MPFit_Optimizer<T_real> _mpfit_optimizer;
     fitting::optimizers::NLOPT_Optimizer<T_real> _nlopt_optimizer;
     fitting::optimizers::Optimizer<T_real>*_optimizer;