#pragma rtGlobals=1		// Use modern global access method.
#pragma IgorVersion=6.0

////////////////////////////////////////////////////
//
// an empirical model containing power law scattering + a broad peak
//
// B. Hammouda OCT 2008
//
//
// updated for use with latest macros SRK Nov 2008
//
////////////////////////////////////////////////////

//
Proc PlotBroadPeak(num,qmin,qmax)
	Variable num=200, qmin=0.001, qmax=0.7
	Prompt num "Enter number of data points for model: "
	Prompt qmin "Enter minimum q-value (�^-1) for model: " 
	Prompt qmax "Enter maximum q-value (�^-1) for model: "
//
	Make/O/D/n=(num) xwave_BroadPeak, ywave_BroadPeak
	xwave_BroadPeak =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
	Make/O/D coef_BroadPeak = {1e-5, 3, 10, 50.0, 0.1,2,0.1}		
	make/o/t parameters_BroadPeak = {"Porod Scale", "Porod Exponent","Lorentzian Scale","Lor Screening Length [A]","Qzero [1/A]","Lorentzian Exponent","Bgd [1/cm]"}	//CH#2
	Edit parameters_BroadPeak, coef_BroadPeak
	
	Variable/G root:g_BroadPeak
	g_BroadPeak := BroadPeak(coef_BroadPeak, ywave_BroadPeak, xwave_BroadPeak)
	Display ywave_BroadPeak vs xwave_BroadPeak
	ModifyGraph marker=29, msize=2, mode=4
	ModifyGraph log=1,grid=1,mirror=2
	Label bottom "q (�\\S-1\\M) "
	Label left "I(q) (cm\\S-1\\M)"
	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
	
	AddModelToStrings("BroadPeak","coef_BroadPeak","parameters_BroadPeak","BroadPeak")
//
End


//
//no input parameters are necessary, it MUST use the experimental q-values
// from the experimental data read in from an AVE/QSIG data file
////////////////////////////////////////////////////
// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
Proc PlotSmearedBroadPeak(str)								
	String str
	Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4)
	
	// if any of the resolution waves are missing => abort
	if(ResolutionWavesMissingDF(str))		//updated to NOT use global strings (in GaussUtils)
		Abort
	endif
	
	SetDataFolder $("root:"+str)
	
	// Setup parameter table for model function
	Make/O/D smear_coef_BroadPeak = {1e-5, 3, 10, 50.0, 0.1,2,0.1}		
	make/o/t smear_parameters_BroadPeak = {"Porod Scale", "Porod Exponent","Lorentzian Scale","Lor Screening Length [A]","Qzero [1/A]","Lorentzian Exponent","Bgd [1/cm]"}
	Edit smear_parameters_BroadPeak,smear_coef_BroadPeak					//display parameters in a table
	
	// output smeared intensity wave, dimensions are identical to experimental QSIG values
	// make extra copy of experimental q-values for easy plotting
	Duplicate/O $(str+"_q") smeared_BroadPeak,smeared_qvals
	SetScale d,0,0,"1/cm",smeared_BroadPeak
					
	Variable/G gs_BroadPeak=0
	gs_BroadPeak := fSmearedBroadPeak(smear_coef_BroadPeak,smeared_BroadPeak,smeared_qvals)	//this wrapper fills the STRUCT
	
	Display smeared_BroadPeak vs smeared_qvals
	ModifyGraph log=1,marker=29,msize=2,mode=4
	Label bottom "q (�\\S-1\\M)"
	Label left "I(q) (cm\\S-1\\M)"
	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
	
	SetDataFolder root:
	AddModelToStrings("SmearedBroadPeak","smear_coef_BroadPeak","smear_parameters_BroadPeak","BroadPeak")
End


//
//AAO version, uses XOP if available
// simply calls the original single point calculation with
// a wave assignment (this will behave nicely if given point ranges)
Function BroadPeak(cw,yw,xw) : FitFunc
	Wave cw,yw,xw
	
#if exists("BroadPeakX")
	yw = BroadPeakX(cw,xw)
#else
	yw = fBroadPeak(cw,xw)
#endif
	return(0)
End

//
// unsmeared model calculation
//
Function fBroadPeak(w,x) : FitFunc
	Wave w
	Variable x
	
	// variables are:							
	//[0] Porod term scaling
	//[1] Porod exponent
	//[2] Lorentzian term scaling
	//[3] Lorentzian screening length [A]
	//[4] peak location [1/A]
	//[5] Lorentzian exponent
	//[6] background
	
	Variable aa,nn,cc,LL,Qzero,mm,bgd
	aa = w[0]
	nn = w[1]
	cc = w[2]
	LL=w[3]
	Qzero=w[4]
	mm=w[5]
	bgd=w[6]
//	local variables
	Variable inten, qval
//	x is the q-value for the calculation
	qval = x
//	do the calculation and return the function value
	
	inten = aa/(qval)^nn + cc/(1 + (abs(qval-Qzero)*LL)^mm) + bgd

	Return (inten)
	
End

//CH#4	
///////////////////////////////////////////////////////////////
// smeared model calculation
//
// you don't need to do anything with this function, as long as
// your BroadPeak works correctly, you get the resolution-smeared
// version for free.
//
// this is all there is to the smeared model calculation!
Function SmearedBroadPeak(s) : FitFunc
	Struct ResSmearAAOStruct &s

//	the name of your unsmeared model (AAO) is the first argument
	Smear_Model_76(BroadPeak,s.coefW,s.xW,s.yW,s.resW)

	return(0)
End


///////////////////////////////////////////////////////////////


// nothing to change here
//
//wrapper to calculate the smeared model as an AAO-Struct
// fills the struct and calls the ususal function with the STRUCT parameter
//
// used only for the dependency, not for fitting
//
Function fSmearedBroadPeak(coefW,yW,xW)
	Wave coefW,yW,xW
	
	String str = getWavesDataFolder(yW,0)
	String DF="root:"+str+":"
	
	WAVE resW = $(DF+str+"_res")
	
	STRUCT ResSmearAAOStruct fs
	WAVE fs.coefW = coefW	
	WAVE fs.yW = yW
	WAVE fs.xW = xW
	WAVE fs.resW = resW
	
	Variable err
	err = SmearedBroadPeak(fs)
	
	return (0)
End