#!/usr/bin/perl
use Chemistry::OpenBabel;

$dir1 = $ARGV[0];
$dir2 = $ARGV[1];

$debug = $ARGV[2];
if ($debug eq "table" ) {print $dir2."|";}
else {
 print "Processing: ".$dir2."\n";
}

opendir(DIR,$dir1);
@allfiles = grep /\.MOL$/, readdir DIR;
closedir(DIR);

my $obconversion = new Chemistry::OpenBabel::OBConversion;
$obconversion->SetInFormat("sdf");
$obconversion->SetOutFormat("inchi");
#$obconversion->SetOptions("K", $Chemistry::OpenBabel::OBConversion::OUTOPTIONS);
my $obmol = new Chemistry::OpenBabel::OBMol;
$Chemistry::OpenBabel::obErrorLog->StopLogging();

my $total_unique=0;
my $recalled = 0;
foreach $file (@allfiles)
{
    my $file1 = $dir1."/".$file;
    my $file2 = $dir2."/".$file;
    if ($debug eq "debug") { print $file2.":";}
    my %collection;
    my %seen_before;
    if ((-f $file1) && (-f $file2))
    {
	my $notatend = $obconversion->ReadFile($obmol, $file1);
	while ($notatend) 
	{
	    $obmol->AddHydrogens();
	    my $inchi =  $obconversion->WriteString($obmol);
	    if ($inchi && !$collection{$inchi})
	    {
		$total_unique++;
		$collection{$inchi} = 1;
	    }
	    $obmol->Clear();
	    $notatend = $obconversion->Read($obmol);
	}
	$notatend = $obconversion->ReadFile($obmol, $file2);
	while ($notatend) 
	{
	    $obmol->AddHydrogens();
	    my $inchi =  $obconversion->WriteString($obmol);
	    if ($inchi && $collection{$inchi} && !$seen_before{$inchi})
	    {
		
    if ($debug eq "debug") { print "OK\n";}
    if ($debug eq "table") { print "1|";} 
		$recalled++;
		$seen_before{$inchi} = 1;
	    }else{
    if ($debug eq "debug") { print "missed\n";}
    if ($debug eq "table") { print "0|";} 
            }
	    $obmol->Clear();
	    $notatend = $obconversion->Read($obmol);
	}


    }
}
if ($debug ne "table") {
 print "Recalled structures: ".$recalled."\n";
 print "Total unique structures: ".$total_unique."\n";
} else{
 print "\n";
}
exit(0);