Changeset 972

Timestamp:

Jun 28, 2013 2:27:59 PM (10 years ago)

Author:

vondreele

Message:

more fixups of MC/SA

Location:

trunk/fsource

Files:

• mcsasubs/mdcalc.for (added)
• mcsasubs/prodvmv.for (added)
• pypowder.for (modified) (3 diffs)

trunk/fsource/pypowder.for

@@ -187 +187 @@
       END
 
-      
       SUBROUTINE PYMDCALC(MDVAL,MDAXIS,NUNIQ,UNIQ,G,MDCORR)
 Cf2py intent(in) MDVAL
@@ -198 +197 @@
       INTEGER*4 NUNIQ
       REAL*4 MDVAL,MDAXIS(0:2),UNIQ(0:3*NUNIQ-1),G(3,3),MDCORR
-      REAL*4 SUMMD
-
-      SUMMD = FLOAT(NUNIQ)
-c      IF ( MDVAL .NE. 1.0) THEN
-c        DO I=0,NUNIQ-1
-
-
-
-c        sumMD = len(Uniq)
-c        if MDval != 1.0:
-c            for H in Uniq:
-c                cosP,sinP = G2lat.CosSinAngle(H,MDaxis,G)
-c                A = 1.0/np.sqrt((MDval*cosP)**2+sinP**2/MDval)
-c                sumMD += A**3
-c            sumMD = np.sum(1./np.sqrt((MDval*cosP)**2+sinP**2/MDval)**3)
-c        return sumMD/len(Uniq)
+
+      CALL MDCALC(MDVAL,MDAXIS,G,NUNIQ,UNIQ,MDCORR)
       RETURN
       END
@@ -249 +234 @@
       END
 
+      SUBROUTINE PYMCSAMDSFCALC(INV,NTD,TDATA,MDATA,XDATA,
+     1  MDVAL,MDAXIS,G,MUL,NFFS,FFS,NUNIQ,UNIQ,PHI,ICALC)
+Cf2py intent(in) INV
+Cf2py intent(in) NTD
+Cf2py intent(in) TDATA
+cf2py depend(NTD) TDATA
+Cf2py intent(in) MDATA
+cf2py depend(NTD) MDATA
+Cf2py intent(in) XDATA
+cf2py depend(NTD) XDATA
+Cf2py intent(in) MDVAL
+Cf2py intent(in) MDAXIS
+Cf2py intent(in) G
+Cf2py intent(in) MUL
+Cf2py intent(in) NFFS
+Cf2py intent(in) FFS
+cf2py depend(NFFS) FFS
+Cf2py intent(in) NUNIQ
+Cf2py intent(in) UNIQ
+cf2py depend(NUNIQ) UNIQ
+Cf2py intent(in) PHI
+cf2py depend(NUNIQ) PHI
+Cf2py intent(out) ICALC
+
+      LOGICAL*4 INV
+      INTEGER*4 NTD,MUL,NFFS,NUNIQ,TDATA(0:NTD-1)
+      REAL*4 XDATA(0:3*NTD-1),UNIQ(0:3*NUNIQ-1)
+      REAL*4 MDATA(0:NTD-1),FFS(0:NFFS-1)
+      REAL*4 ICALC,PHI(0:NUNIQ-1),MDVAL,MDAXIS(0:2),G(3,3)
+      REAL*4 MDCORR
+
+      CALL MCSASFCALC(INV,NTD,TDATA,MDATA,XDATA,MUL,NFFS,FFS,
+     1  NUNIQ,UNIQ,PHI,ICALC)
+      CALL MDCALC(MDVAL,MDAXIS,G,NUNIQ,UNIQ,MDCORR)
+      ICALC = ICALC*MDCORR
+      RETURN
+      END
+
 C Fortran (fast) linear interpolation -- B.H. Toby 9/2011
       SUBROUTINE PYFINTERP(NIN,XIN,YIN,NOUT,XOUT,YOUT)