package SCIGRESS
@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;

sub SetSampleName
sub SetSampleName { my ($this,$n)=
return $this->{'SampleName'} = $n;

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

sub CheckFileType
my ($path) = @_;
return "SCIGRESS sim file";
return "SCIGRESS sim-converted text file";
return "SCIGRESS output LST file";
return undef;

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

sub DESTROY
sub DESTROY { my $this = 

sub SaveBDLFile
my ($this, $Crystal, $SaveFile, $ChooseRandomly, $IsPrint) = @_;
return;

sub ReadHeadingInforFromTXTFile
my ($this, $in) = @_;
return undef if(!defined $line);
return ($nMDStep, $iOutputStep0, $nOutputInterval, $NATOM, $KMOL, \@AtomTypes, \@NUMMOL, \@NUMATOM);

sub ReadNextStructureFromTXTFile
my ($this, $nStep, $in, $SampleName, $NATOM, $KMOL, $pAtomTypes, $pNUMMOL, $pNUMATOM) = @_;
return undef if(!defined $line);
return $Crystal;

sub ReadAtomTypesFromCSFFile
my ($this, $LSTPath) = @_;
return () if(!$in);
return @AtomTypes;

sub ReadAtomTypesFromLSTFile
my ($this, $LSTPath) = @_;
return () if(!$in);
return @AtomTypes;