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lib/AlignDB/DeltaG.pm  view on Meta::CPAN

package AlignDB::DeltaG;
use Moose;
use YAML::Syck;

our $VERSION = '1.1.0';

has 'temperature' => ( is => 'rw', isa => 'Num', default => sub {37.0}, );
has 'salt_conc'   => ( is => 'rw', isa => 'Num', default => sub {1.0}, );
has 'deltaH'      => ( is => 'ro', isa => 'HashRef', );
has 'deltaS'      => ( is => 'ro', isa => 'HashRef', );
has 'deltaG'      => ( is => 'ro', isa => 'HashRef', );

sub BUILD {
    my $self = shift;

    # Load thermodynamic data
    my ( $deltaH, $deltaS ) = $self->_load_thermodynamic_data;
    $self->{deltaH} = $deltaH;
    $self->{deltaS} = $deltaS;

    # Recalculate the deltaG hash on current temperature and salt conditions