package ATOMS @ISA = qw() sub GetSTRFile return Deps::ReplaceExtension($_[0], ".str"); sub GetPDBFile return Deps::ReplaceExtension($_[0], ".pdb"); sub SetFileName my ($this, $path) = @_; return $this->{'FileName'} = $path; sub FileName my ($this) = @_; return $this->{'FileName'}; sub SetSampleName my ($this, $name) = @_; return $this->{'SampleName'} = $name; sub SampleName my ($this) = @_; return $this->{'SampleName'}; sub new my ($module) = @_; return $this; sub DESTROY my $this = shift; sub CheckFileType my ($path) = @_; return "ATOMS str file"; return "ATOMS pdb file"; return undef; sub Read my ($this, $filename) = @_; return undef unless($FileType); return $this->ReadSTRFile($filename); return $this->ReadPDBFile($filename); return undef; sub ReadSTRFile my ($this, $filename, $IsPrint) = @_; return undef unless($in); return $crystal; sub ReadPDBFile my ($this, $filename, $IsPrint) = @_; return undef unless($in); return $crystal;