Changeset 1035


Ignore:
Timestamp:
Sep 3, 2020 3:55:44 PM (22 months ago)
Author:
ilavsky
Message:

Minor changes in Coreshellellipsoid

File:
1 edited

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  • trunk/User form factors for Irena/CoreShellEllipsoidsForIrena.ipf

    r663 r1035  
    2121//USE in Irena :
    2222//In Modeling II select User form factor
    23 //In panel put in "Name of ForFactor function this string:    IR1T_EllipsoidalCoreShell
     23//In panel put in "Name of FormFactor function this string:    IR1T_EllipsoidalCoreShell
    2424//In Panel put in Name of volume FF function this string:     IR1T_EllipsoidalVolume
    2525//
    2626// Par1 is the aspect ratio which for ellipsoids are defiend as rotational objects with dimensions R x R x AR*R, note, AR=1 may fail.
    27 // par 2 is shell thickness in A, and it is the same thickness everywhere on teh ellipsoid.
     27// par2 is shell thickness in A, and it is the same thickness everywhere on the ellipsoid.
    2828// par3, 4 and 5 are contrasts as this is core shell system and contrasts are part of the form factor.
    29 // par3, 4 and 5 are implicitelyu multipled by 10^10cm^-2, so insert only a number. These are rhos not, delta-rho-square
     29// par3, 4 and 5 are implicitely multiplied by 10^10cm^-2, so insert only a number. These are rhos not, delta-rho-square
    3030// In main panel set contrast = 1 !!!!!
    3131//*************************************************************************************************
     
    7676   //   oblatevol = IR1T_OblateVolume(trmaj, AspectRatio)
    7777   //   answer /= oblatevol                     -- this is needs to be taken out, Irena does its own volumehandling here... 
    78    //   also creect for their conversion to [A-1] to [cm-1]
     78   //   also correct for their conversion to [A-1] to [cm-1]
    7979   //   answer *= 1.0e8 
    8080   //   not needed, set to 1 scale
     
    173173          if(npro ==1) //then   // prolate
    174174                 zi = ( z76[ii]*(vb-va) + vb + va )/2.0
    175 //            yyy = w76[ii]*gfn1(zi,crmaj,crmin,trmaj,trmin,delpc,delps,qq)
    176175          Endif
    177 //
    178176          if(npro ==0) //then   // oblate 
    179177                 zi = ( z76[ii]*(vb-va) + vb + va )/2.0
    180 //            yyy = w76[ii]*gfn3(zi,crmaj,crmin,trmaj,trmin,delpc,delps,qq)
    181178          Endif
    182179        Endif           //nfn = 1
    183         //
    184         if(nfn !=1) //then              //calculate"f2" = <f^2> = averaged form factor
     180         if(nfn !=1) //then             //calculate"f2" = <f^2> = averaged form factor
    185181          if(npro ==1) //then   //prolate
    186182             zi = ( z76[ii]*(vb-va) + vb + va )/2.0
    187 //            yyy = w76[ii]*gfn2(zi,crmaj,crmin,trmaj,trmin,delpc,delps,qq)
    188           //printf "yyy = %g\r",yyy
    189183          Endif
    190 //
    191184          if(npro ==0) //then   //oblate
    192185                 zi = ( z76[ii]*(vb-va) + vb + va )/2.0
     
    198191        ii+=1
    199192        while (ii<nord)                         // end of loop over quadrature points
    200 //   
    201 // calculate value of integral to return
     193        // calculate value of integral to return
    202194
    203195      answer = (vb-va)/2.0*summ
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