Changeset 821 for sans/XOP_Dev/SANSAnalysis

Timestamp:

Jul 19, 2011 7:24:27 PM (12 years ago)

Author:

ajj

Message:

• Increased number of integration points for PolyThreeShell? and PolyFourShell? functions in XOP
• Made IGOR function for the same match the XOP

• Turned off file-check for me as well as Steve. DoCheck?(0) is getting boring!

File:

• sans/XOP_Dev/SANSAnalysis/lib/libSphere.c (modified) (6 diffs)

sans/XOP_Dev/SANSAnalysis/lib/libSphere.c

@@ -1721 +1721 @@
 }
 
+// Use 150 point integral. This is probably excessive, but we need at least 100 points 
+// and this avoids yet another set of abcissae and weights
 double
 PolyThreeShell(double dp[], double x)
@@ -1727 +1729 @@
         double va,vb,summ,yyy,zi;
         double answer,zp1,zp2,zp3,vpoly,range,temp_3sf[11],pi;
-        int nord=76,ii;
+        int nord=150,ii;
         double thick1,thick2,thick3;
         double rhoshel1,rhoshel2,rhoshel3;
@@ -1774 +1776 @@
         for(ii=0;ii<nord;ii+=1) {
                 // calculate Gauss points on integration interval (r-value for evaluation)
-                zi = ( Gauss76Z[ii]*(vb-va) + vb + va )/2.0;
+                zi = ( Gauss150Z[ii]*(vb-va) + vb + va )/2.0;
                 temp_3sf[1] = zi;
-                yyy = Gauss76Wt[ii] * SchulzPoint(zi,rcore,zz) * ThreeShell(temp_3sf,x);
+                yyy = Gauss150Wt[ii] * SchulzPoint(zi,rcore,zz) * ThreeShell(temp_3sf,x);
                 //un-normalize by volume
                 yyy *= 4.0*pi/3.0*pow((zi+thick1+thick2+thick3),3);
@@ -1798 +1800 @@
 }
 
+
+// Use 150 point integral. This is probably excessive, but we need at least 100 points 
+// and this avoids yet another set of abcissae and weights
 double
 PolyFourShell(double dp[], double x)
@@ -1804 +1809 @@
         double va,vb,summ,yyy,zi;
         double answer,zp1,zp2,zp3,vpoly,range,temp_4sf[13],pi;
-        int nord=76,ii;
+        int nord=150,ii;
         double thick1,thick2,thick3,thick4;
         double rhoshel1,rhoshel2,rhoshel3,rhoshel4;
@@ -1855 +1860 @@
         for(ii=0;ii<nord;ii+=1) {
                 // calculate Gauss points on integration interval (r-value for evaluation)
-                zi = ( Gauss76Z[ii]*(vb-va) + vb + va )/2.0;
+                zi = ( Gauss150Z[ii]*(vb-va) + vb + va )/2.0;
                 temp_4sf[1] = zi;
-                yyy = Gauss76Wt[ii] * SchulzPoint(zi,rcore,zz) * FourShell(temp_4sf,x);
+                yyy = Gauss150Wt[ii] * SchulzPoint(zi,rcore,zz) * FourShell(temp_4sf,x);
                 //un-normalize by volume
                 yyy *= 4.0*pi/3.0*pow((zi+thick1+thick2+thick3+thick4),3);