Changeset 127 for sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/HPMSA.ipf

Timestamp:

Jul 24, 2007 3:23:44 PM (16 years ago)

Author:

srkline

Message:

LOTS of changes to the analysis ipf files:

-- see sphere.ipf for the simplest example of the changes --

• #pragma Igor 6
• #if directive to look for XOP
• AAO unsmeared functions
• STRUCT functions for smearing (also AAO)
• new wrappers for dependencies to struct functions

(2006 models have NOT been completed yet, only the old models)

• loading data files into data folders (PlotUtils?) + some streamlining of the loaders
• Smear_Model_N is now AAO + some streamlining of the quadrature code

-- SHS and SW structure factor XOPs are crashing (need DP wave, I may have old XOP)
-- this breaks fitting of the smeared models until wrappers can be devised
-- all packages will be broken due to the new data folder structure
-- multiple instances of functions will now cause problems (MSA)
-- RPA model is a problem with its odd functional form (extra wave)

-- lots of other carnage to follow as the bugs and typos are shaken out

24 JUL 2007 SRK

File:

• sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/HPMSA.ipf (modified) (5 diffs)

sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/HPMSA.ipf

@@ -1 +1 @@
 #pragma rtGlobals=1             // Use modern global access method.
-
+#pragma IgorVersion = 6.0
+
+// converted to Igor code by Paul Butler
+//
 Proc PlotHayterPenfoldMSA(num,qmin,qmax)
         Variable num=128, qmin=.001, qmax=.3
@@ -23 +26 @@
         make/o/t parameters_hpmsa = {"Diameter (A)","Charge","Volume Fraction","Temperature(K)","monovalent salt conc. (M)","dielectric constant of solvent"}
         Edit parameters_hpmsa,coef_hpmsa
-        ywave_hpmsa := HayterPenfoldMSA(coef_hpmsa,xwave_hpmsa)
+        Variable/G root:g_HPMSA
+        g_hpmsa := HayterPenfoldMSA(coef_hpmsa,ywave_hpmsa,xwave_hpmsa)
+//      ywave_hpmsa := HayterPenfoldMSA(coef_hpmsa,xwave_hpmsa)
         xdiamwave_hpmsa:=xwave_hpmsa*coef_hpmsa[0]
         //Display ywave_hpmsa vs xdiamwave_hpmsa        
@@ -33 +38 @@
 End
 
+//AAO version
+Function HayterPenfoldMSA(cw,yw,xw) : FitFunc
+        Wave cw,yw,xw
+
+#if exists("HayterPenfoldMSAX")
+        yw = HayterPenfoldMSAX(cw,xw)
+#else
+        yw = fHayterPenfoldMSA(cw,xw)
+#endif
+        return(0)
+End
+
 //////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
 //
@@ -44 +61 @@
 //                     A POWER OF 2
 //
-
-Function HayterPenfoldMSA(w,x) : FitFunc
+Function fHayterPenfoldMSA(w,x) : FitFunc
         wave w
         variable x
@@ -769 +785 @@
                 qcosk = qk*cosk
                 aqk = gMSAWave[0]*(sink-qcosk)
-                aqk=aqk+gMSAWave[1]*((2.0*qk2-1.0)*qcosk+2.0*sink-2.0/qk)
-                inter=24.0*qk3+4.0*(1.0-6.0*qk2)*sink
-                aqk=(aqk+0.5*etaz*gMSAWave[0]*(inter-(1.0-12.0*qk2+24.0*qk2*qk2)*qcosk))*qk3
-                aqk=aqk +gMSAWave[2]*(ck*asink-sk*qcosk)*qqk
-                aqk=aqk +gMSAWave[3]*(sk*asink-qk*(ck*cosk-1.0))*qqk
-                aqk=aqk +gMSAWave[3]*(cosk-1.0)*qk2
-                aqk=aqk -gekz*(asink+qcosk)*qqk
+        aqk=aqk+gMSAWave[1]*((2.0*qk2-1.0)*qcosk+2.0*sink-2.0/qk)
+                inter=24.0*qk3+4.0*(1.0-6.0*qk2)*sink
+                aqk=(aqk+0.5*etaz*gMSAWave[0]*(inter-(1.0-12.0*qk2+24.0*qk2*qk2)*qcosk))*qk3
+                aqk=aqk +gMSAWave[2]*(ck*asink-sk*qcosk)*qqk
+                aqk=aqk +gMSAWave[3]*(sk*asink-qk*(ck*cosk-1.0))*qqk
+                aqk=aqk +gMSAWave[3]*(cosk-1.0)*qk2
+                aqk=aqk -gekz*(asink+qcosk)*qqk
                 SofQ = 1.0/(1.0-e24*aqk)
       endif