From 821ed661a478765e4ef8920053fb9c4342b37b07 Mon Sep 17 00:00:00 2001
From: sakul-45 <81963567+sakul-45@users.noreply.github.com>
Date: Wed, 14 Jul 2021 13:49:55 +0200
Subject: [PATCH] Implemented "thyme" fitting function

---
 simulation_TREPR.m | 41 ++++++++++++++++++++++++++++++++++-------
 1 file changed, 34 insertions(+), 7 deletions(-)

diff --git a/simulation_TREPR.m b/simulation_TREPR.m
index 16f1189..1bf53f8 100644
--- a/simulation_TREPR.m
+++ b/simulation_TREPR.m
@@ -1,4 +1,4 @@
-function [params] = simulation_TREPR(Exp,Sys,params)
+function [params] = simulation_TREPR(Exp,Sys0,params)
 %SIMULATION_TREPR Summary of this function goes here
 %
 %   Detailed explanation goes here
@@ -19,10 +19,12 @@ ax = axes(plotpanel);
 ax.XLabel.String = 'magnetic field';
 ax.YLabel.String = 'Intensity';
 %plot manual simulation
-[bfield,spec] = pepper(Sys,Exp);
+[bfield,spec] = pepper(Sys0,Exp);
 spec_norm = spec/max(spec); % normalize the simulation
 plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
      bfield,spec_norm,'b','LineWidth',1.2)
+xlabel 'Magnetic Field / mT'
+ylabel 'EPR signal / A. U.'
 legend('experimental','simulation')
 axis tight
 
@@ -284,13 +286,38 @@ uicontrol(InpTx); %passes focus to first input
 uiwait(fig)
 
 %% Callback functions
-    function SimStartButtonPushed(src,event)
-        
+    function BestSys = SimStartButtonPushed(src,event)
+        %get Vary and Opt from Input
+        varT1 = str2double(get(InpTx,'String'));
+        varT2 = str2double(get(InpTy,'String'));
+        varT3 = str2double(get(InpTz,'String'));
+        Vary.Temperature = [varT1 varT2 varT3];
+        varD = str2double(get(InpD,'String'));
+        varE = str2double(get(InpE,'String'));
+        Vary.D = [varD varE];
+        varGauss = str2double(get(InpGauss,'String'));
+        varLor = str2double(get(InpLor,'String'));
+        Vary.lw = [varGauss varLor];
+        Vary.g = str2double(get(InpG,'String'));
+        FitOpt.Method = get(InpMeth,'String');
+        FitOpt.Scaling = get(InpScal,'String');
+        %perform fit
+        Sys0.Temperature = [0 0 0];
+        [BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp,[],FitOpt);
+        plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
+                0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2)
+        xlabel 'Magnetic Field / mT'
+        ylabel 'EPR signal / A. U.'
+        legend('experimental','simulation')
+        axis tight
+    end
+    
+    function SimSaveButtonPushed(src,event)
+%         Sys = BestSys;
     end
     
     function SimDoneButtonPushed(src,event)
         close 'Simulation'
     end
-
-end
-
+ 
+end
\ No newline at end of file