#!/usr/bin/perl

# Randal R. Ketchem, Ph.D.                619.784.9879 (voice1)
# Department of Molecular Biology, MB-9   619.784.8754 (voice2)
# The Scripps Research Institute          619.784.9985 (FAX)
# 10550 N. Torrey Pines Road              ketchemr@scripps.edu (email)
# La Jolla, CA 92037-1027                 http://www.scripps.edu/~ketchemr

# noevio file:
##  ATOM A          ATOM B        BOUND  MT   AVE  +-  RMS  : per structure
# 19 TYR CZ       13 ILE MD        0.01  1D  14.11 +-  1.94 :   15.23  12.39 13.02  11.91  15.81  10.93  17.79  14.76  14.58  14.66  # ar_ambig:1
# The peak number is in the comment field as "peak file name:peak number".

if($#ARGV != 0)
{
   $prgName = `basename $0`;
   chop($prgName);
   die <<EOHELP;

Outputs the binning in an ambiguity noevio output file. Shows groupings and
the number of each.

Usage: $prgName [peak file] [> out]
EOHELP
}

while(<>)
{
   next if(/^\s*#/);
   next if(/^\s*$/);
   chomp;

   $peakNum = $_;
   $peakNum =~ s/.*://;
   $peakNum =~ s/ .*//;
   $peakCount{$peakNum}++;
}

foreach $numThisPeak (keys %peakCount)
{ ++$count{$peakCount{$numThisPeak}}; }

print "group: # in this group\n";
foreach $num (sort bynumber keys %count)
{ print "$num: $count{$num}\n"; }

sub bynumber { $a <=> $b; }