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package SmilesScripts::OPSIN;
use strict;
use warnings;
use IPC::Open3;
use Symbol 'gensym';
sub new
{
my( $class ) = @_;
my $CHLD_ERR = gensym;
my $pid = open3( my $CHLD_IN, my $CHLD_OUT, $CHLD_ERR, 'java -jar /usr/share/java/opsin.jar' );
return bless { pid => $pid, stdin => $CHLD_IN, stdout => $CHLD_OUT }, $class;
}
sub IUPAC_to_SMILES
{
my( $self, $IUPAC ) = @_;
my $stdin = $self->{stdin};
my $stdout = $self->{stdout};
$IUPAC .= "\n" unless $IUPAC =~ /\n$/;
local $\ = undef;
print $stdin $IUPAC;
my $SMILES = <$stdout>;
$SMILES =~ s/\n$//;
return $SMILES ? $SMILES : undef;
}
sub DESTROY
{
my( $self ) = @_;
my $stdin = $self->{stdin};
close $stdin;
waitpid $self->{pid}, 0;
}
1;
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