Chemistry::Pattern::Bond - A bond that knows how to match

    my $patt_bond = Chemistry::Pattern::Bond->new(order => 2);
    $patt_bond->test_sub( sub {
        my ($what, $where) = @_; 
        $where->type eq 'purple' ? 1 : 0; # only match purple bonds
    });

Objects of this class represent bonds in a pattern. This is a subclass of Chemistry::Bond. In addition to the properties of regular bonds, pattern bonds have a method for testing if they match an bond in a molecule. By default, a pattern bond matches an bond if they have the same bond order or both are aromatic. It is possible to substitute this by an arbitrary criterion by providing a custom test subroutine.

$patt_bond->test($bond)

Tests if the pattern bond matches the bond given by $bond. Returns true or false.

$patt_bond->test_sub(\&my_test_sub)

Specify an arbitrary test subroutine to be used instead of the default one. &my_test_sub must take two parameters; the first one is the pattern bond and the second is the bond to match. It must return true if there is a match.

$patt_bond->map_to([$bond])

Returns or sets the bond that is considered to be matched by $patt_bond.

0.27

Chemistry::Pattern

The PerlMol website http://www.perlmol.org/

Ivan Tubert-Brohman <itub@cpan.org>

Copyright (c) 2009 Ivan Tubert-Brohman. All rights reserved. This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.