package MXD @ISA = qw() sub BEGIN sub new my ($module) = @_; return $this; sub DESTROY my $this = shift; sub SetSampleName my ($this, $name) = @_; return $this->{'SampleName'} = $name; sub SampleName my ($this) = @_; return $this->{'SampleName'}; sub GetBusingParameter my ($this,$atomname) = @_; return (''); return ($mass, $charge, $ai, $bi, $ci, $rad); return (''); sub SetnExpandCells my ($this, $nExpandLatticeA, $nExpandLatticeB, $nExpandLatticeC) = @_; sub nExpandCells my ($this) = @_; sub MakeMXDFiles my ($this, $Crystal, $MXDFunction, $fname05, $fname07, $fname10, $Version, $IsChooseRandomly) = @_; return $ret if($ret <= 0); return $ret if($ret <= 0); return $ret if($ret <= 0); return 1; sub MakeFILE05 my ($this, $Crystal, $MXDFunction, $fname05, $IsChooseRandomly) = @_; return -1; return 1; sub MakeFILE07 my ($this, $Crystal, $MXDFunction, $fname07, $Version, $IsChooseRandomly) = @_; return -1; return 1; sub MakeFILE10 my ($this, $Crystal, $MXDFunction, $fname10, $IsChooseRandomly) = @_; return -1; return -1; return 1; sub MakeXTALDATA my ($this, $Crystal, $Function, $WorkingDirectory, $FilePrefix) = @_; return (-1); return (-1); return (-1); return (-1); return (-1); return (-1);