#!/home/ivan/bin/perl
use Chemistry::File::SMILES;
use Test::More;
my $file = shift || "unique_smiles.txt";
open F, "$file" or die "couldn't open $file\n";
my @lines = <F>;
plan tests => @lines*1;
for my $line (@lines) {
my ($smiles, $expected_usmiles) = split " ", $line;
my $mol = Chemistry::Mol->parse($smiles, format => 'smiles');
my $usmiles = $mol->print(format => 'smiles', unique => 1);
is($usmiles, $expected_usmiles, "$smiles => $expected_usmiles");
}