package ChemicalReaction
@ISA = qw()

sub SetMode
sub SetMode                    { my ($this,$m)=
return $this->{Mode} = $m;

sub GetMode
return shift->{Mode};

sub SetDebugMode
sub SetDebugMode               { my ($this,$f)=
return $this->{DebugMode} = $f;

sub GetDebugMode
return shift->{DebugMode};

sub GetpCSVDBs
sub GetpCSVDBs                 { my ($this)=
return $this->{pCVDDBs};

sub GetCSVDB
sub GetCSVDB                   { my ($this, $index)=
return $this->{pCVDDBs}->[$index];

sub GetAllDB
sub GetAllDB                   { my ($this)=
return $this->{pAllDB};

sub GetElementaryDB
return shift->{pElementaryDB};

sub GetCompoundDB
return shift->{pCompoundDB};

sub GetCompositionAllDB
return shift->{pCompositionAllDB};

sub GetCompositionAtomDB
return shift->{pCompositionAtomDB};

sub GetCompositionElementaryDB
return shift->{pCompositionElementaryDB};

sub GetCompositionCompoundDB
return shift->{pCompositionCompoundDB};

sub GetDB
my ($this) = @_;
return $this->GetAllDB();
return $this->GetCompositionCompoundDB();
return $this->GetCompoundDB();

sub GetAtomDB
my ($this) = @_;
return $this->{pAtomDB};
return $this->GetCompositionAtomDB();
return $this->{pAtomDB};

sub GetDBListHash
my ($this) = @_;
return %db;

sub GetDBHash
my ($this, $Compound, $pDB) = @_;
return $pHash if($pHash and $pHash->{Status} eq '');
return undef;
return $pDB->{$c} if($pDB->{$c} and $pDB->{$c}{Status} eq '');
return undef;

sub GetEmol
my ($this, $Compound, $pDB) = @_;
return undef if(!defined $pDB);
return $pDB->{Emol};

sub InitialReaction
sub InitialReaction { my ($this)=
return $this->{Initial} ;

sub FinalReaction
sub FinalReaction   { my ($this)=
return $this->{Final} ;

sub Reagents
sub Reagents        { my ($this)=
return $this->{Initial} ;

sub Products
sub Products        { my ($this)=
return $this->{Final} ;

sub ReagentsHash
sub ReagentsHash    { my ($this)=
return $this->{ReagentsHash} ;

sub ProductsHash
sub ProductsHash    { my ($this)=
return $this->{ProductsHash} ;

sub pCompounds
my ($this, $key) = @_;
return $this->{ProductsHash}->{pCompounds};
return $this->{ReagentsHash}->{pCompounds};

sub nCompound
my ($this, $key, $compound) = @_;
return $pHash->{$compound}{n};

sub ElementsArray
my ($this, $key) = @_;
return $this->pElements($key);

sub pElements
my ($this, $key) = @_;
return $this->{ProductsHash}->{pElements};
return $this->{ReagentsHash}->{pElements};

sub nElement
my ($this, $key, $element) = @_;
return $pHash->{$element}{nElement};

sub ListCompounds
my ($this) = @_;

sub ShowSpeculatedSpecies
my ($this, $Compound) = @_;

sub nElementByArray
my ($this, $pCompounds, $pComposition, $IsPrint) = @_;
return \%nFinalElement;

sub SearchCSVDBHit
my ($this, $RegExp) = @_;
return @Hit;

sub new
my ($module, $pDBFiles, $BaseDBDir, $mode) = @_;
return $this;

sub DESTROY
my ($this) = @_;
	$this->SUPER::DESTROY(

sub Initialize
my ($this, $InitializeDB) = @_;

sub ClearHashes
my ($this) = @_;

sub MolecularWeight
my ($this, $Compound) = @_;
return $w;

sub IsIncluded
my ($this, $key, $pArray, $CaseSensitive) = @_;
return Utils::IsIncludedInArray($key, $pArray, $CaseSensitive);

sub PrintDBData
my ($this, %hash) = @_;

sub PrintElements
my ($this, $key) = @_;

sub PrintnElements
my ($this, $key) = @_;

sub ReadDBFiles
my ($this, $pDBFiles, $BaseDBDir) = @_;
return undef;
return $this->{pCVDDBs};

sub ReadDBFile
my ($this, $DBFile, $BaseDBDir, $IsPrint) = @_;
return undef;
return $csv;

sub SplitReaction
my ($this, $Reaction) = @_;
return Utils::Split("=>?", $Reaction);

sub BuildReactionFromArrays
my ($this, $pCompounds, $pComposition, $format, $min, $Sort) = @_;
return $a cmp $b;
return $s;

sub ReactionToHTML
my ($this, $reaction) = @_;
return $rh if(!defined $p);
return "$rh=>$ph";

sub AReactionToHTML
my ($this, $reaction) = @_;
return $r;

sub SortChemicalFormula
my ($this, $formula) = @_;
return $s;
return join('', @a);

sub NormalizeChemicalComposition
my ($this, $pnAtom) = @_;
return ($OriginalComposition, $Composition);

sub ReactionToCompounds
my ($this, $reaction) = @_;
return (\@Chemicals, \@Compounds, \@n);

sub CompoundToElements
my ($this, $Compound, $Debug) = @_;
return ([keys %nElement], [values %nElement]);
return (\@Element, \@n);

sub RemoveCompounds
my ($this, $pSource, $pRemove) = @_;
return sort keys %s;

sub ExtractPossibleCompounds
my ($this, $pElements, $pCompounds, $pCompoundDB) = @_;
return @PC;

sub AnalyzeAReaction
my ($this, $key, $reaction) = @_;

sub Analyze
my ($this, $Reaction, $IsPrint) = @_;
return ();

sub CheckMassBalance
my ($this, $IsPrint) = @_;
return 0;
return 0;
return 1;

sub MakePossibleComposition
my ($this, $pReagentElements, $pCompounds, $pCompoundDB, $MaxNInReaction, $IsPrint) = @_;
return $this->RepairComposition(\@Composition, $pReagentElements, $pCompounds, $pCompoundDB, $IsPrint);

sub NormalizeComopositionByArray
my ($this, $pCompounds, $pComposition, $format) = @_;
return $s;

sub RepairComposition
my ($this, $pComposition, $pReagentElements, $pCompounds, $pCompoundDB, $IsPrint) = @_;
return $pComposition;

sub CalCohesiveEnergy
my ($this, $Compound, $IsPrint, $ErrorStop, $Debug) = @_;
return $Ecoh;
return undef;

sub CalTotalEnergyByArray
my ($this, $pCompounds, $pComposition, $IsPrint) = @_;
return $Etot;

sub CalTotalEnergy
my ($this, $Reaction, $IsPrint, $ErrorStop, $Debug) = @_;
return $EReaction;

sub CalFormationEnergy
my ($this, $Reaction, $IsPrint, $ErrorStop) = @_;
return $EForm;