#
#     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 $Id$
#===========================================================================
#
# sfall.script
#
#===========================================================================

  # Create temporary HKLOUT file name
  set tmp_mtz [GetTmpFileName -ext mtz]

  CreateComScript sfall sfall_script
  set cmd "[BinPath sfall] HKLOUT \"$tmp_mtz\" $SFALL_SFCALC_IN \"[subst $[subst $SFALL_SFCALC_IN]]\""
  if $SFALL_SFCALC_HKLIN { append cmd "  HKLIN \"$HKLIN\"" }
  set status [Execute $cmd $sfall_script program_status report ]

  # Perform the equivalent of sfall's LABOUT ALLIN, using CAD
  # This is more robust as it can handle all label names
  # (sfall has problems if a file label duplicates a program label
  if { $SFALL_SFCALC_HKLIN && $ALLIN } {
    set cad_script [GetTmpFileName -ext com]
    WriteFile $cad_script "LABIN FILE 1 ALL
LABIN FILE 2 E1=$FC E2=$PHIC
END"

    set cmd "cad HKLIN1 \"$HKLIN\" HKLIN2 \"$tmp_mtz\" HKLOUT \"$HKLOUT\""
    set status [Execute $cmd $cad_script program_status report]
  } else {
    MoveFile $tmp_mtz $HKLOUT
  }