1#!/home/ivan/bin/perl 2 3use Chemistry::File::SMILES; 4use Test::More; 5 6my $file = shift || "test_names.txt"; 7open F, "$file" or die "couldn't open $file\n"; 8my @smiles = <F>; 9plan tests => @smiles * 2; 10 11for my $smiles (@smiles) { 12 chomp $smiles; 13 my $mol = Chemistry::Mol->parse($smiles, format => 'smiles'); 14 my $out = $mol->print(format => 'smiles', aromatic => 1) . "\t" . $mol->name; 15 is($out, $smiles, "$smiles (name => 0)"); 16 $out = $mol->print(format => 'smiles', name => 1, aromatic => 1); 17 is($out, $smiles, "$smiles (name => 1)"); 18} 19