NAME
Chemistry::Pattern::Bond - A bond that knows how to match
SYNOPSIS
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
});DESCRIPTION
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.
METHODS
- $patt_bond->test($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.
VERSION
0.27
SEE ALSO
The PerlMol website http://www.perlmol.org/
AUTHOR
Ivan Tubert-Brohman <itub@cpan.org>
COPYRIGHT
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.