HackaMol::Molecule groups attribute

[demianriccardi]

is currently, wrongly listed as atomgroups

[demianriccardi]

if a molecule is initiated with groups of atoms, the molecule should build the necessary attributes to make the molecule useful. i.e. atoms

[demianriccardi]

my $mol = HackaMol::Molecule->new(atomgroups=>[@groups], atoms=>[map{$_->all_atoms} @groups]);

#should be
my $mol = HackaMol::Molecule->new(groups=>[@groups]);

[demianriccardi]

done!