#
#     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 $Id$
#======================================================================
#
# mapave script
#
#======================================================================

  source [SearchPath TOP utils map_utils.tcl ]

#----------------------------------------------------------------
# Run FFT to generate map
#----------------------------------------------------------------

  if [StringSame $MAPAVE_INPUT MTZ ] {

    set CELL_MAP [GetTmpFileName -ext map ]
    set IFXYZLIM 1
    set XYZLIM_1 0.0
    set XYZLIM_2 1.0
    set XYZLIM_3 0.0
    set XYZLIM_4 1.0
    set XYZLIM_5 0.0
    set XYZLIM_6 1.0
    set SPACE_GROUP P1

    CreateComScript  fft fft_script
    set cmd "[BinPath fft] HKLIN \"$HKLIN\" MAPOUT \"$CELL_MAP\""

    set status [Execute $cmd $fft_script program_status report ]

#----------------------------------------------------------------
# Run mapmask to expand map to unit cell
#----------------------------------------------------------------

  } elseif [StringSame $MAPAVE_INPUT ASYM_MAP ]  {
  
    set CELL_MAP [GetTmpFileName -ext map]
    set cmd "[BinPath mapmask] MAPIN \"$MAPIN\" MAPOUT \"$CELL_MAP\""

    WriteComFile  mapmask_script "XYZLIM 0.0 1.0 0.0 1.0 0.0 1.0"

    set status [Execute $cmd $mapmask_script program_status report ]

  } else {

     set CELL_MAP $MAPIN

  }

#---------------------------------------------------------------
# Mapdump Find the map grid - needed if maprot input does not 
# have MSKIN or WRKIN
#---------------------------------------------------------------

  if { [StringSame $MAPAVE_MODE CORRELATION CORRELATION_MASK ]  } {
    set IFXYZLIM 1
    set IFCELL 1
    set IFGRID 1
    set SPACE_GROUP 1

    if { $GRID_1 == "" || $CELL_1 == "" } {

      GetMapHeader $CELL_MAP space_group cell xyzlim grid axes
      if { $GRID_1 == "" } {
        for { set n 3 } { $n >= 1 } { incr n -1 } {
          set GRID_[subst $n] [lindex $grid [expr $n -1]]
        }
      }
      if { $CELL_1 == "" } {
        for { set n 6 } { $n >= 1 } { incr n -1 } {
          set CELL_[subst $n] [lindex $cell [expr $n -1]]
        }
      }
    }
  } else {
    set IFXYZLIM 0
    set SPACE_GROUP ""
  }

#----------------------------------------------------------------
# Run maprot to generate output averaged map
#----------------------------------------------------------------

  CreateComScript maprot maprot_script
  set cmd "[BinPath maprot] MAPIN \"$CELL_MAP\""
  if [StringSame $MAPAVE_MODE GRAPHICS AVERAGED] {append cmd " MSKIN $MSKIN"}
  if [StringSame $MAPAVE_MODE AVERAGED] {
    append cmd " MAPOUT \"$MAPOUT\""
  } else {
    append cmd " WRKOUT \"$MAPOUT\""
  }
  set status [Execute $cmd $maprot_script $LOG_FILE program_status report ]


#----------------------------------------------------------------
# Correlation mask mode - use Mapmask to make mask and optionally
# Ncsmask to clean up the mask
#----------------------------------------------------------------

  if [regexp CORRELATION_MASK $MAPAVE_MODE] {

    set MSKTMP [GetTmpFileName -ext msk]

    set cmd "[BinPath mapmask] MAPIN \"$MAPOUT\" MSKOUT \"$MSKTMP\""

    WriteComFile mapmask_script "MASK VOLUME $VOLUME"

    set status [Execute $cmd $mapmask_script $LOG_FILE program_status report ]

    if {  $IFPEAK } {

       set cmd "[BinPath ncsmask] MSKIN \"$MSKTMP\" MSKOUT \"$MSKOUT\""

       WriteComFile ncsmask_script "peak $PEAK"
     
       set status [Execute $cmd $ncsmask_script \
		$LOG_FILE program_status report ]

    } else {
       MoveFile $MSKTMP $MSKOUT
    }

  }