package MOPAC @ISA = qw() sub ClearAll sub ClearAll { my $this= sub FileType return shift->{'FileType'}; sub FileName return shift->{'FileName'}; sub SetFileName sub SetFileName { my ($this,$f)= return $this->{'FileName'} = $f; return shift->{'DataArray'}; my ($this, $da) = @_; return $this->{'DataArray'} = $da; sub SetSampleName sub SetSampleName { my ($this,$n)= return $this->{'SampleName'} = $n; sub SampleName return shift->{'SampleName'}; sub CheckFileType my ($path) = @_; return undef unless($in); return "$type Output file"; return undef; sub Read my ($this, $filename) = @_; return $this->MoToGraphData($MO); sub new my ($module) = @_; return $this; sub DESTROY sub DESTROY { my $this = sub SaveDatFileFromMolecule my ($this, $path, $mol, $IsPrint) = @_; return undef; return 1; sub ReadDatFile my ($this, $path, $TranslateToCenter, $IsPrint) = @_; return undef; return $mol; sub ReadOutputFile my ($this, $path) = @_; return undef unless($in); return $MO; sub MoToGraphData my ($this, $MO, $target) = @_; return $MO->SourcePath();