File: cdkdepict

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smiles-scripts 0.3.0%2Bsvn878%2Bbranch%2Bsystem%2Bdeps-2
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  • size: 3,860 kB
  • sloc: perl: 1,889; java: 1,218; sh: 1,092; makefile: 246
file content (58 lines) | stat: -rwxr-xr-x 1,428 bytes parent folder | download
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#!/usr/bin/perl -T

use strict;
use warnings;

use lib 'lib/perl5';

use CGI qw(:standard -nosticky -utf8);
use Chemistry::OpenSMILES::Parser;
use File::Basename qw( dirname );
use IPC::Run qw( run );
use URL::Encode qw( url_params_mixed );

my $params = url_params_mixed( $ENV{QUERY_STRING} );
my $SMILES;
eval {
    die 'SMILES string not supplied via \'smiles\' query string parameter' if !$params->{smiles};

    $SMILES = $params->{smiles};
    $SMILES = $SMILES->[0] if ref $SMILES eq 'ARRAY';

    my $parser = Chemistry::OpenSMILES::Parser->new;
    $parser->parse( $SMILES );
};
if( $@ ) {
    print header( -type    => 'text/html',
                  -charset => 'utf-8',
                  -status  => 400 ),
          start_html,
          $@,
          end_html,
          "\n";
    exit;
}

$ENV{PATH} = '/usr/local/bin:/usr/bin:/bin';

my $bindir = dirname( dirname __FILE__ ) . '/bin';
if( $bindir ne '/usr/lib/bin' && $bindir ne '/usr/local/lib/bin' ) {
    $ENV{PATH} = $bindir . ':' . $ENV{PATH};
}

my( $STDIN, $STDOUT, $STDERR );
run [ 'cdkdepict' ], \$SMILES, \$STDOUT, \$STDERR;

if( $STDERR ) {
    print header( -type    => 'text/html',
                  -charset => 'utf-8',
                  -status  => 400 ),
          start_html,
          $STDERR,
          end_html,
          "\n";
} else {
    print header( -type => 'image/svg+xml',
                  -charset => 'utf-8' ),
          $STDOUT;
}