#
#     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 $Id$
#======================================================================
#
# rsps script
#
#======================================================================

# Set scorefile (maps of scoring) file names
  if [StringSame $RSPS_INPUT SCAN] {
    set HARKER_SCORFILE [GetTmpFileName -ext map] }
  if [StringSame $RSPS_MODE CROSSPEAKS] {
    set xfile [file root $XPEAKSFIL]
    set ext [file extension $XPEAKSFIL]
    for { set n 1 } { $n <= $N_CROSS_PEAKS } { incr n } {
      set CROSS_SCORFILE($n) [GetTmpFileName -ext map]
      set XPEAKSFILS($n) $xfile; append XPEAKSFILS($n) "_$n" $ext
      AddOutputFile $XPEAKSFILS($n) PROJECT
    }
  }

  set tmp_log_file [GetTmpFileName -ext log]

  CreateComScript rsps rsps_script -nocontinue
  set status [Execute [BinPath rsps] $rsps_script program_status report \
			-copy_log $tmp_log_file ]


# Read the log file and create HA files

  if { [ReadFile $tmp_log_file log_text -split ] } {
    set outfiles AddOutputFile
    set ifcoords 0
    set nha 0
    foreach line $log_text {
      if { $ifcoords > 3 } {
        if { [llength $line ] < 1 } { 
          WriteFile $ha_file $ha_text
          append outfiles " $ha_file PROJECT"
          set ifcoords 0
        } else {
          append ha_text "ATOM  Ha" \
			"  [lrange $line 1 3]"  "  1.0  0.0  BFAC 20.0\n"
        }
      } elseif { $ifcoords > 0 } {
        incr ifcoords
      } elseif { [regexp "SET NUMBER" $line] } {
          incr nha; set ha_file  [SetOutputFileRoot]_$nha.ha
          set ha_text ""
          OpenFile $ha_file f w
          WriteIdentifier $f "HA $nha" PROJECT {} JOB_ID {}
          CloseFile $f
          incr ifcoords
      }
    }
    if { $nha > 0 } { eval "$outfiles" }
  }

  DeleteFile $tmp_log_file