Re: [OpenBabel-scripting] WriteMapList using Perl

[jseco <js...@mm...>]

  Hi All,

       I have recently installed Openbabel on my computer and trying to
develop some code merging OB and Perl, but unfortunately, I have noticed the
documentation present is not large enough to my comprehension because of my
programming limitations.
     I have the same problem in how to access to the data of GetUMapList().
I have also read the post, but it seems was not clearly fixed it. I have
tried the following code to finally confirm the $maplist is a HASH (using
Scalar::Util, because Data::Dumper gave me  $VAR1 = bless(
{},'Chemistry::OpenBabel::vvInt' );  but I do not know how to interpret...)
and I have unsuccessfully tried all perlistic ways to access to a given hash
but I do not know how to really access to the content, even trying the
solutions posted here. 
     Am I missing anything ?, because the foreach loop does not return
anything.

     Thanks in advance!!


use Chemistry::OpenBabel;
use Scalar::Util;


my $smiles = "c1cc(CC(=O)CN)ccc1";
my $obMol = new Chemistry::OpenBabel::OBMol;
my $obConversion = new Chemistry::OpenBabel::OBConversion;
$obConversion->SetInFormat("smi");
$obConversion->ReadString($obMol,$smiles);
my $obsmartpattern = new Chemistry::OpenBabel::OBSmartsPattern;
$obsmartpattern->Init('C(=O)');
$obsmartpattern->Match($obMol);
my $maplist = $obsmartpattern->GetMapList();
print UNIVERSAL::isa($maplist,'HASH');

foreach my $index1 (sort {$a cmp $b} keys %{$maplist}) {
        printf "index is %s\n",$index;
}

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