Menu "Simulation"
	"Init Params /1"
	"Simulation /2"
	"Params Wave to Globals /3"
end

Proc InitParams_1(theSimulationWave,theParamsWave)			| makes and initializes global variables assumed by macros below
	String theSimulationWave="sim1", theParamsWave="params"
	Prompt theSimulationWave, "Simulation Wave:"
	Prompt theParamsWave, "Parameters Wave:"
	String/G SimulationWave=theSimulationWave, ParamsWave=theParamsWave
	print SimulationWave, ParamsWave
End

Proc InitParams_2(thefreq, thegx,thegy,thegz,theax,theay,theaz,thelinewidth_x, thelinewidth_y, thelinewidth_z)			| makes and initializes global variables assumed by macros below
	Variable thefreq=9.105, thegx=2.036,thegy=2.036,thegz=2.245,theax=40,theay=40,theaz=525,thelinewidth_x=130, thelinewidth_y=130, thelinewidth_z=160
	Prompt thefreq, "Frequency:"
	Prompt thegx, "gx:"
	Prompt thegy, "gy:"
	Prompt thegz, "gz:"
	Prompt theax, "Ax (in MHz):"
	Prompt theay, "Ay (in MHz):"
	Prompt theaz, "Az (in MHz):"
	Prompt thelinewidth_x, "Linewidth X (in MHz): "
	Prompt thelinewidth_y, "Linewidth Y (in MHz): "
	Prompt thelinewidth_z, "Linewidth Z (in MHz): "
		
	Variable/G freq=thefreq, gx=thegx,gy=thegy,gz=thegz,ax=theax,ay=theay,az=theaz, linewidth_x=thelinewidth_x,linewidth_y=thelinewidth_y,linewidth_z=thelinewidth_z
	print freq, gx, gy, gz, ax, ay, az, linewidth_x, linewidth_y, linewidth_z
End

Proc InitParams()
	InitParams_1()
	InitParams_2()
End

Proc Simulation(thefreq, thegx,thegy,thegz,theax,theay,theaz,thelinewidth_x,thelinewidth_y,thelinewidth_z)
	Variable thefreq=freq, thegx=gx,thegy=gy,thegz=gz,theax=ax,theay=ay,theaz=az,thelinewidth_x=linewidth_x, thelinewidth_y=linewidth_y, thelinewidth_z=linewidth_z
	Prompt thefreq, "Frequency:"
	Prompt thegx, "gx:"
	Prompt thegy, "gy:"
	Prompt thegz, "gz:"
	Prompt theax, "Ax (in MHz):"
	Prompt theay, "Ay (in MHz):"
	Prompt theaz, "Az (in MHz):"
	Prompt thelinewidth_x, "Linewidth X (in MHz): "
	Prompt thelinewidth_y, "Linewidth Y (in MHz): "
	Prompt thelinewidth_z, "Linewidth Z (in MHz): "

Silent 1
	$ParamsWave[8]= thefreq
	$ParamsWave[9]= thegx
	$ParamsWave[10]= thegy
	$ParamsWave[11]= thegz
	$ParamsWave[18]= theax
	$ParamsWave[19]= theay
	$ParamsWave[20]= theaz
	$ParamsWave[47]= thelinewidth_x
	$ParamsWave[48]= thelinewidth_y
	$ParamsWave[49]= thelinewidth_z
	
	Simulate($ParamsWave,$SimulationWave)
	
	freq = thefreq
	gx = thegx
	gy = thegy
	gz = thegz
	ax = theax
	ay = theay
	az = theaz
	linewidth_x = thelinewidth_x
	linewidth_y = thelinewidth_y
	linewidth_z = thelinewidth_z
	
		|$theCollectionWave[counter] = input
		
End
Proc ParamsWaveToGlobals()

	Silent 1
	freq = $ParamsWave[8]
	gx = $ParamsWave[9]
	gy = $ParamsWave[10]
	gz = $ParamsWave[11]
	ax = $ParamsWave[18]
	ay = $ParamsWave[19]
	az = $ParamsWave[20]
	linewidth_x = $ParamsWave[47]
	linewidth_y = $ParamsWave[48]
	linewidth_z = $ParamsWave[49]
	
End


Window Isotropic_Example() : Graph
	PauseUpdate; Silent 1		| building window...
	Display /W=(82,49,560,473) IsoWave as "Isotropic Simulation Example"
	ModifyGraph lHair=0.5
	ModifyGraph rgb=(52428,1,1)
	ModifyGraph tick=3
	ModifyGraph mirror=2
	ModifyGraph noLabel=2
	ModifyGraph axOffset(left)=-6.5,axOffset(bottom)=-2
	Label left "\\F'Palatino'\\Z12Intensity (arbitrary units)"
	Label bottom "\\F'Palatino'\\Z12Field (Gauss)"
	SetAxis left -146.149,146.149
	SetAxis bottom -17.9307692307692,635.261538461538
	Textbox/N=text0/F=0/S=3/H=36/G=(0,0,65535)/B=1/A=MC/X=-2.56/Y=45.29 "Isotropic simulation of DMPO-S (thiyl) radical"
	AppendText "\\JCvia SimulateIso() function"
EndMacro

Window Powder_Example() : Graph
	PauseUpdate; Silent 1		| building window...
	Display /W=(32,85,536,469) phm382,sim1 as "phm382_simulation"
	ModifyGraph lHair=0.5
	ModifyGraph rgb(phm382)=(1,4,52428),rgb(sim1)=(52428,1,1)
	ModifyGraph mirror=2
	ModifyGraph fSize=14
	ModifyGraph lblMargin(left)=6
	ModifyGraph axOffset(left)=-1
	Label left "\\F'Palatino'\\Z14\\f01Intensity (arbitrary units)"
	Label bottom "\\F'Palatino'\\Z14\\f01Field (Gauss)"
	Legend/J/N=text0/S=3/H=36/A=MC/X=-22.76/Y=39.50 "\\s(phm382) PHM (Type II Cu protein)\r\\s(sim1) Simulation via XOP"
EndMacro