#!/home/ivan/bin/perl use Chemistry::File::SMILES; use Test::More; my $file = shift || "test_names.txt"; open F, "$file" or die "couldn't open $file\n"; my @smiles = ; plan tests => @smiles * 2; for my $smiles (@smiles) { chomp $smiles; my $mol = Chemistry::Mol->parse($smiles, format => 'smiles'); my $out = $mol->print(format => 'smiles', aromatic => 1) . "\t" . $mol->name; is($out, $smiles, "$smiles (name => 0)"); $out = $mol->print(format => 'smiles', name => 1, aromatic => 1); is($out, $smiles, "$smiles (name => 1)"); }