File: smi_parse

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smiles-scripts 0.2.0%2Bdfsg1-4
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#!/usr/bin/perl

use strict;
use warnings;

use Chemistry::OpenSMILES::Parser;
use Encode qw( encode );

my $errors = 0;
while (<>) {
    chomp;
    utf8::decode( $_ );

    my $additional_position = '';
    if( s/\t([^\t]*)$// ) {
        $additional_position = ' ' . $1;
    }

    my $parser = Chemistry::OpenSMILES::Parser->new();
    eval {
        $parser->parse( $_ );
    };
    if( $@ ) {
        $@ =~ s/^[^:]+:\s*// if !index( $@, $0 );
        print STDERR sprintf '%s: %s(%d)%s: %s',
                             $0,
                             $ARGV,
                             $.,
                             encode( 'utf8', $additional_position ),
                             encode( 'utf8', $@ );
        $errors++;
    }
}

exit( $errors > 0 );