Changeset 1035
- Timestamp:
- Sep 3, 2020 3:55:44 PM (22 months ago)
- File:
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- 1 edited
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trunk/User form factors for Irena/CoreShellEllipsoidsForIrena.ipf
r663 r1035 21 21 //USE in Irena : 22 22 //In Modeling II select User form factor 23 //In panel put in "Name of For Factor function this string: IR1T_EllipsoidalCoreShell23 //In panel put in "Name of FormFactor function this string: IR1T_EllipsoidalCoreShell 24 24 //In Panel put in Name of volume FF function this string: IR1T_EllipsoidalVolume 25 25 // 26 26 // 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 tehellipsoid.27 // par2 is shell thickness in A, and it is the same thickness everywhere on the ellipsoid. 28 28 // 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 implicitely u multipled by 10^10cm^-2, so insert only a number. These are rhos not, delta-rho-square29 // par3, 4 and 5 are implicitely multiplied by 10^10cm^-2, so insert only a number. These are rhos not, delta-rho-square 30 30 // In main panel set contrast = 1 !!!!! 31 31 //************************************************************************************************* … … 76 76 // oblatevol = IR1T_OblateVolume(trmaj, AspectRatio) 77 77 // answer /= oblatevol -- this is needs to be taken out, Irena does its own volumehandling here... 78 // also c reect for their conversion to [A-1] to [cm-1]78 // also correct for their conversion to [A-1] to [cm-1] 79 79 // answer *= 1.0e8 80 80 // not needed, set to 1 scale … … 173 173 if(npro ==1) //then // prolate 174 174 zi = ( z76[ii]*(vb-va) + vb + va )/2.0 175 // yyy = w76[ii]*gfn1(zi,crmaj,crmin,trmaj,trmin,delpc,delps,qq)176 175 Endif 177 //178 176 if(npro ==0) //then // oblate 179 177 zi = ( z76[ii]*(vb-va) + vb + va )/2.0 180 // yyy = w76[ii]*gfn3(zi,crmaj,crmin,trmaj,trmin,delpc,delps,qq)181 178 Endif 182 179 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 185 181 if(npro ==1) //then //prolate 186 182 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",yyy189 183 Endif 190 //191 184 if(npro ==0) //then //oblate 192 185 zi = ( z76[ii]*(vb-va) + vb + va )/2.0 … … 198 191 ii+=1 199 192 while (ii<nord) // end of loop over quadrature points 200 // 201 // calculate value of integral to return 193 // calculate value of integral to return 202 194 203 195 answer = (vb-va)/2.0*summ
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