#!/usr1/people/gabrielc/bin/nmrPipe/install/nmrbin.sgi6x/nmrWish -f

set auto_path "[split $env(TCLPATH) :] $auto_path"
set ARGV      [concat $argv0 $argv]
set ARGC      [llength $ARGV]

set assName	22580.all
set inName	hsqc
set outName	hsqc.ass

set hnTolPPM	0.02 
set nTolPPM	0.08

#
# Help text:

   if {[flagLoc $ARGV -HELP] || [flagLoc $ARGV -help]} \
      {
       puts "Project assignments from one peak table to another:"
       puts "  -ass assName    Assigned peak table input."
       puts "  -in  inName     Unassigned peak table input."
       puts "  -out outName    Assigned peak table output."
       puts "  -hnTol  xMax    Maximum X_PPM difference for match."
       puts "  -nTol   yMax    Maximum Y_PPM difference for match."
       exit
      }

getArgD $ARGV -in     inName
getArgD $ARGV -ass    assName
getArgD $ARGV -out    outName

getArgD $ARGV -hnTol  hnTolPPM 
getArgD $ARGV  -nTol   nTolPPM 

set assList ""

gdbInit
gdbCreate dBase -name ASS

set assTab [gdbRead table -in $assName -name ass  -verb]
set pkTab  [gdbRead table -in $inName  -name peak -verb]

set entryI  [gdbFirst $assTab]
set idList ""

while {$entryI} \
   {
    set resID   	[gdbGet $entryI RESID]
    set resType($resID) [gdbGet $entryI RESNAME]
    set atName	 	[gdbGet $entryI ATOMNAME]

    set ass($resID)	$resType($resID)$resID

    set shift($resID,$atName)	[gdbGet $entryI SHIFT]

    if {[lsearch $idList $resID] < 0} \
       {
        append idList "$resID "
       }

    set entryI [gdbNext $entryI]
   }

foreach i $idList \
   {
    if {[info exists shift($i,HN)] == 1} \
       {
        set xPPM $shift($i,HN)
       } \
    else \
       {
        set xPPM 9999.0
       } 

    if {[info exists shift($i,N)] == 1} \
       {
        set yPPM $shift($i,N)
       } \
    else \
       {
        set yPPM 9999.0
       } 

#
# Find the peak entry nearest to the given X and Y position.

    set cond  "near( X_PPM, $xPPM, $hnTolPPM ) && near( Y_PPM, $yPPM, $nTolPPM )"
    set eList [gdbSelect -from $pkTab -M -inPlace -cond $cond]

    set count [llength $eList]

    if {$count < 1} \
       {
        puts "Residue $ass($i): No match!"
       } \
    elseif {$count == 1} \
       {
#        puts "Matched to residue $ass"

        foreach entryJ $eList \
           {
            set index [gdbGet $entryJ INDEX]

            if {[lsearch $assList $index] < 0} \
               {
                gdbSetValByVar $entryJ ASS $ass($i)
                set ready($index) $ass($i)
               } \
            else \
               {
                puts "Matched to $ass($i) but overlaps with previously matched $ready($index)"
               } 

            lappend assList $index
           }
       } \
    else \
       {
        puts "Residue $ass($i): Ambiguous, matched $count times."
       }
   }

gdbWrite $pkTab $outName
exit