NAME

Chemistry::Pattern::Atom

SYNOPSIS

my $patt_atom = Chemistry::Pattern::Atom->new(symbol => C);
$patt_atom->test_sub( sub {
    my ($what, $where) = @_; 
    $where->bonds == 3 ? 1 : 0; # only match atoms with three bonds
});

DESCRIPTION

Objects of this class represent atoms in a pattern. This is a subclass of Chemistry::Atom. In addition to the properties of regular atoms, pattern atoms have a method for testing if they match an atom in a molecule. By default, a pattern atom matches an atom if they have the same symbol. It is possible to substitute this by an arbitrary criterion by providing a custom test subroutine.

METHODS

$patt_atom->test($atom)

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

$patt_atom->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 atom and the second is the atom to match. It must return true if there is a match.

$patt_atom->map_to([$atom])

Returns or sets the atom that is considered to be matched by $patt_atom.

VERSION

0.25

SEE ALSO

Chemistry::Pattern

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

AUTHOR

Ivan Tubert-Brohman <itub@cpan.org>

COPYRIGHT

Copyright (c) 2004 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.