#
#     Copyright (C) 1999-2004  Liz Potterton, Peter Briggs
#
#     This code is distributed under the terms and conditions of the
#     CCP4 Program Suite Licence Agreement as a CCP4 Library.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#CCP4i_cvs_Id $Id$
##########################################################
#  Sigmaa script
#
##########################################################

  if {$USE_SFALL} {

  set SFALL_HKLOUT [GetTmpFileName ]
  set SPACE_GROUP $SIGMAA_SPACE_GROUP
  set SFALL_MODE SFCALC
  set SFALL_SFCALC_IN XYZIN
  set SFALL_SFCALC_HKLIN 1
  set SFALL_RESOLUTION $SIGMAA_RESOLUTION
  set LABIN "FP SIGFP FREE"
  set LABOUT "FC PHIC"
  
  if { $SIGMAA_ACTION != "PART" } {
    set ALLIN 1
  }

  set FC $SFALL_FC
  set PHIC $SFALL_PHIC
  CreateComScript sfall sfall_script

  set cmd "[BinPath sfall] HKLIN \"$HKLIN\" HKLOUT \"$SFALL_HKLOUT\" XYZIN \"$XYZIN\""
  set status [Execute $cmd $sfall_script program_status report ]
  }


  incr NPS

  if { $NPS > 3 } { set NPS 3}
  if { $SIGMAA_ACTION == "PART" } {
	set LABIN "FP SIGFP FC PHIC"
	set LABOUT "DELFWT FWT WCMB"
	set PART 1
	set COMBINE_PARTS 1
	set SIGMAA_DAMP [append SIGMAA_DAMP "$DAMP"]
     }
  if { $SIGMAA_ACTION == "COMB_PART" } {
	set LABIN "FP SIGFP PHIBP WP HLA HLB HLC HLD"
	set LABOUT "DELFWT PHDELFWT FWT PHFWT WCMB PHCMB"
	set COMBINE_PART 1
	set COMBINE_PARTS $NPS
	set SIGMAA_DAMP [append SIGMAA_DAMP "$DAMP"]

	if { $NPS == 1 } {
	  set LABIN [append LABIN " FC PHIC" ]
        } else {
          for { set i 2} { $i <= $NPS } {incr i} {
	    set LABIN [append LABIN " FC$i PHIC$i" ]
            set FC[expr $i] $FCN([expr $i-1])
            set PHIC[expr $i] $PHICN([expr $i-1])
            set SIGMAA_DAMP [append SIGMAA_DAMP " $DAMPN([expr $i-1])"]
          }
          set FC1 $FC
          set PHIC1 $PHIC
       }
        
     }
  if { $SIGMAA_ACTION == "COMB_MIR" } {
	set LABIN "FP SIGFP PHIBP WP PHIB2 W2 HLA HLB HLC HLD HLA2 HLB2 HLC2 HLD2"
	set LABOUT "WCMB PHCMB HLAC HLBC HLCC HLDC"
	set COMBINE_MIR 1
     }

  CreateComScript sigmaa sigmaa_script

  if {$USE_SFALL} {set HKLIN $SFALL_HKLOUT }

  set status [Execute "[BinPath sigmaa] HKLIN \"$HKLIN\" HKLOUT \"$HKLOUT\""  \
                  $sigmaa_script program_status report ]

  if {$USE_SFALL} { DeleteFile $SFALL_HKLOUT }