fix the urr to update with API calls

sammy/src/acs/macs0.f90

@@ -116,15 +116,6 @@ module acs_m
          STOP
       END IF
 !
-      ! ############################################################
-      ! JMB: If we only want to set theoretical xs's and derivatives
-      ! ############################################################
-      ! if( urr_calc ) then 
-      !     Where_To_Next = 'genfit'
-      !     print *, "API call! --------------------------"
-      !     return
-      ! end if
-      ! ############################################################
 !
 !
       IF (Kendf.EQ.0 .AND. (Iterat.EQ.Itmax .OR. Iterat.EQ.0)) THEN

sammy/src/acs/macs1.f90

@@ -103,6 +103,17 @@ module acs1_m
       CALL Zero_Array (Theory(1,1,Iterp1), Kntmax*Kdtset)
       CALL Zero_Array (Theorl, Kntmax*Numelv*Kdtset)
       CALL Zero_Array (Dtheor, Kntmax*Nvpall*Kdtset)
+
+      ! ------------------------------------------------------------------------------
+      ! JMB: temporary fix to reset the URR parameter values w/out using SAMMY fitting
+      ! Note: Parnew from fit/mfit1.f
+      ! ------------------------------------------------------------------------------
+      CALL Parnew (  A_Kkanrm , A_Kkdnrm , I_Kkknrm , I_Kiinrm , &
+             A_Istrel , A_Kkgglg , A_Istren , A_Idstre , A_Idistn , &
+             A_Iddist , A_Kkkkgg , A_Kkdlgg , A_Kkkkgf , A_Kkdlgf , &
+             I_Kkkjnl , I_Kkkjxl , I_Iflstr , I_Ifldst , I_Iflggg , &
+             I_Iflgff , I_Iflnrm , A_Kkktab , A_Kktabf , A_Kktabn , &
+             A_Ianold , I_Iflold , A_Idnold )
 !
 ! *** Generate cross sections -- loop over num. datasets
       DO Iset=1,Kdtset

sammy/src/acs/macs4.f90

@@ -375,12 +375,11 @@ module acs4_m
 !
       DATA Type /'TOTA', 'INEL', 'FISS', 'CAPT', 'ELAS'/
       DATA Zero /0.0d0/, One /1.0d0/
-
-      dataInd = 2
-      theoInd = 3
       
-      call grid%initialize()
-      call grid%setDataIndex(dataInd) ! 2 since angle-integrated and no time-shift
+      ! JMB: data grids set up in fff
+      call expData%getGrid(grid,Iset)
+      dataInd = grid%getDataColumn()
+      theoInd = dataInd+1
 !
       Chisqu = Zero
       DO Ienerg=1,Khmax
@@ -440,14 +439,13 @@ module acs4_m
             call grid%addData(Ienerg,theoInd,Theory(Ienerg))
 
             do Ipar=1,Nvpall
+               ! TODO: consider whether DerivativeList is more appropriate
                call grid%addData(Ienerg,theoInd+Ipar,Dtheor(Ipar,Ienerg))
             end do
             ! -----------------------------------------------------------------
 !
          END IF
       END DO
-
-      call expData%addGrid(grid)
 !
       Chisqu = Chisqu/dFLOAT(Khmax)
       WRITE (21,10000) Iset, Type(Ktype), Chisqu

sammy/src/fff/mfff0.f90

@@ -197,6 +197,7 @@ module fff_m
       CALL Adjust_Fff (A_Kkkkex , A_Kkspin , A_Kkkpty )
 !
 ! *** Read the cross section data
+      ! JMB: also set up C++ mem. GridDataList
       CALL Acsinp (I_Kkktyp , I_Kkkknt , A_Kkkkex , A_Keeset , &
          A_Kssset , A_Kuuset , A_Kwwset )
       CLOSE (UNIT=15)

sammy/src/fff/mfff9.f90

@@ -15,7 +15,8 @@ module fff9_m
       use EndfData_common_m
       IMPLICIT DOUBLE PRECISION (a-h,o-z)
 
-      integer :: numDataSets
+      integer :: numDataSets, dataInd
+      type(GridData) :: expGrid
 
       DIMENSION Kktype(*), Kkkntx(*), Ex(*), Eeeset(Kntmax,*), &
          Sssset(Kntmax,*), Uuuset(Kntmax,*), Wwwset(Kntmax,*)
@@ -32,6 +33,14 @@ module fff9_m
       numDataSets = Kdtset
       IF (Kpntws.NE.0) numDataSets = Kpntws
       DO I=1,numDataSets
+         ! ----------------------------------
+         ! JMB: add grids to the gridDataList
+         ! ----------------------------------
+         call expGrid%initialize()
+         dataInd = 2  ! 2 since angle-integrated and no time-shift (URR)
+         call expGrid%setDataIndex(dataInd)
+         call expData%addGrid(expGrid)
+         ! ----------------------------------
          IF (Kexptd.EQ.1) THEN
             IF (Fdatax(I).EQ.Fblank) GO TO 30
             CALL Filopn (17, Fdatax(I), 0)

sammy/src/sam/sammy_api_m.f90

@@ -40,7 +40,7 @@ contains
     subroutine sammy_init(sizeData) BIND(C,name="sammy_init")
         integer :: sizeData
         if( sizeData.lt.0 ) then
-            urr_calc = .true. ! we're calling this through fitAPI
+            urr_calc = .true. ! when we're calling this through fitAPI
             sizeData = sizeData * (-1)
         end if
 
@@ -115,7 +115,13 @@ contains
 
         ii = iter
 
-        call Samthe_0
+        if( urr_calc ) then 
+            call Samacs_0
+            Where_To_Next = 'samthe'
+            return
+        else 
+            call Samthe_0
+        end if
 
         ! run until we find one of the relevant sammy fit subroutine
         iter = 0