lschank7/tr-epr-simulation
lschank7/tr-epr-simulation
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Finished objectifying #8

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lschank7 merged 43 commits from objectify into master 2021-07-27 13:09:44 +00:00
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simulation_TREPR.m
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@ -1,8 +1,19 @@
function [params] = simulation_TREPR(Exp,Sys0,params) function [params] = simulation_TREPR(params)
%SIMULATION_TREPR Summary of this function goes here %SIMULATION_TREPR Summary of this function goes here
% %
% Detailed explanation goes here % Detailed explanation goes here
%% setup
%create struct for passing data between callbacks
eventdata.manSys = params.Manual_Sys;
eventdata.manExp.mwFreq = params.mwFreq; %GHz
eventdata.manExp.nPoints= length(params.Field_Vector);
eventdata.manExp.CenterSweep = 0.1*[params.Field_Center params.Field_Sweep]; % mT (converted from Gauss)
eventdata.manExp.Harmonic = 0; % zeroth harmonic
eventdata.manExp.Temperature = params.Triplett_pop;
eventdata.simSys = params.Manual_Sys; %initialize simulation parameters
eventdata.simExp = eventdata.manExp;
%% creating UI %% creating UI
fig = figure; fig = figure;
fig.Name = 'Simulation'; fig.Name = 'Simulation';
@ -19,7 +30,7 @@ ax = axes(plotpanel);
ax.XLabel.String = 'magnetic field'; ax.XLabel.String = 'magnetic field';
ax.YLabel.String = 'Intensity'; ax.YLabel.String = 'Intensity';
%plot manual simulation %plot manual simulation
[bfield,spec] = pepper(Sys0,Exp); [bfield,spec] = pepper(eventdata.manSys,eventdata.manExp);
spec_norm = spec/max(spec); % normalize the simulation spec_norm = spec/max(spec); % normalize the simulation
plot(ax,0.1*params.Field_Vector,params.max_mean,'r',... plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
bfield,spec_norm,'b','LineWidth',1.2) bfield,spec_norm,'b','LineWidth',1.2)
@ -286,7 +297,7 @@ uicontrol(InpTx); %passes focus to first input
uiwait(fig) uiwait(fig)
%% Callback functions %% Callback functions
function BestSys = SimStartButtonPushed(src,event) function SimStartButtonPushed(src,event)
%get Vary and Opt from Input %get Vary and Opt from Input
varT1 = str2double(get(InpTx,'String')); varT1 = str2double(get(InpTx,'String'));
varT2 = str2double(get(InpTy,'String')); varT2 = str2double(get(InpTy,'String'));
@ -301,19 +312,31 @@ uiwait(fig)
Vary.g = str2double(get(InpG,'String')); Vary.g = str2double(get(InpG,'String'));
FitOpt.Method = get(InpMeth,'String'); FitOpt.Method = get(InpMeth,'String');
FitOpt.Scaling = get(InpScal,'String'); FitOpt.Scaling = get(InpScal,'String');
%get previous simulation parameters (manual or saved)
Sys0 = eventdata.simSys;
Exp0 = eventdata.simExp;
%perform fit %perform fit
Sys0.Temperature = [0 0 0]; Sys0.Temperature = [0 0 0];
[BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp,[],FitOpt); [BestSys,BestSpc] = esfit('thyme',params.max_mean,Sys0,Vary,Exp0,[],FitOpt);
plot(ax,0.1*params.Field_Vector,params.max_mean,'r',... plot(ax,0.1*params.Field_Vector,params.max_mean,'r',...
0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2) 0.1*params.Field_Vector,BestSpc,'b','LineWidth',1.2)
xlabel 'Magnetic Field / mT' xlabel 'Magnetic Field / mT'
ylabel 'EPR signal / A. U.' ylabel 'EPR signal / A. U.'
legend('experimental','simulation') legend('experimental','simulation')
axis tight axis tight
%normalize Triplett population
Tsum = sum(BestSys.Temperature);
BestSys.Temperature = BestSys.Temperature ./ Tsum;
%write best simulation parameters to eventdata
eventdata.BestSys = BestSys;
end end
function SimSaveButtonPushed(src,event) function SimSaveButtonPushed(src,event)
% Sys = BestSys; %set current parameters as new start values
eventdata.simSys = eventdata.BestSys;
eventdata.simExp.Temperature = eventdata.BestSys.Temperature;
%save fitted parameters to struct
params.Fitted_Simulation = eventdata.BestSys;
end end
function SimDoneButtonPushed(src,event) function SimDoneButtonPushed(src,event)