package MolecularOrbital
@ISA = qw()

sub SetSourcePath
sub SetSourcePath  { my ($this,$p)=
return $this->{SourcePath} = $p;

sub SourcePath
return shift->{SourcePath};

sub SetTitle
sub SetTitle  { my ($this,$t)=
return $this->{Title} = $t;

sub Title
return shift->{Title};

sub SetCrystal
sub SetCrystal { my ($this,$crystal) = 
return $this->{'Crystal'} = $crystal;

sub Crystal
return shift->{'Crystal'};

sub SetUHF
sub SetUHF    { my ($this,$f)=
return $this->{IsUHF} = $f;

sub UHF
return shift->{IsUHF};

sub SetnAlphaElectrons
sub SetnAlphaElectrons    { my ($this,$n)=
return $this->{nAlphaElectrons} = $n;

sub nAlphaElectrons
return shift->{nAlphaElectrons};

sub SetnBetaElectrons
sub SetnBetaElectrons     { my ($this,$n)=
return $this->{nBetaElectrons} = $n;

sub nBetaElectrons
return shift->{nBetaElectrons};

sub SetBase
sub SetBase               { my ($this,$iOrb,$base)=
return $this->{Base}->[$iOrb] = $base;

sub SetWFCoeff
my ($this, $iMO, $ibase, $coeff) = @_;
return $this->{WFCoeff}->[$iMO][$ibase] = $coeff;

sub nData
sub nData       { my ($this)=
return scalar @$a;

sub nWF
return shift->nData();

sub nBase
return 0 if(!$p);

sub RootNumber
sub RootNumber  { my ($this,$i)=
return $this->{RootNumber}->[$i];

sub Symmetry
sub Symmetry    { my ($this,$i)=
return $this->{Symmetry}->[$i];

sub Energy
sub Energy      { my ($this,$i)=
return $this->{Energy}->[$i];

sub Spin
sub Spin        { my ($this,$i)=
return $this->{Spin}->[$i];

sub Ne
sub Ne          { my ($this,$i)=
return $this->{Ne}->[$i];

sub Base
sub Base        { my ($this,$i)=
return $this->{Base}->[$i];

sub WFCoeff
sub WFCoeff     { my ($this,$iMO,$ibase)=
return $this->{WFCoeff}->[$iMO][$ibase];

sub pRootNumber
return shift->{RootNumber};

sub pSymmetry
return shift->{Symmetry};

sub pEnergy
return shift->{Energy};

sub pNe
return shift->{Ne};

sub pSpin
return shift->{Spin};

sub pBase
return shift->{Base};

sub pWFCoeff
return shift->{WFCoeff};

sub Unit
return shift->{Unit};

sub SetUnit
sub SetUnit       { my ($this,$u)=
return $this->{Unit} = $u;

sub SetYName
sub SetYName     { my ($this,$name)=
return $this->{YName} = $name;

sub YName
return shift->{YName};

sub GetYName
return shift->{YName};

sub GetYMinMax
sub GetYMinMax { my $this = 
return ($this->{YMin}, $this->{YMax});

sub GetMinMax
sub GetMinMax  { my $this = 
return ($this->{YMin}, $this->{YMax});

sub nRedMOs
my ($this, $spin) = @_;
return $this->nData() if(!defined $spin);
return $n;

sub new
my ($module) = @_;
return $this;

sub DESTROY
my $this = shift;

sub NormalizeWFCoeff
my ($this) = @_;

sub Add
my ($this, $index, $RootNumber, $symmetry, $e, $ne, $spin) = @_;
return $this->nData();

sub CalYMinMax
my ($this) = @_;
return unless($pe);
return if($nData <= 0);
return ($min, $max);

sub CalMinMax
my ($this) = @_;
return 1;