Fill a vtkBlueObeliskData container with data from the BODR XML dataset. More...

#include <vtkBlueObeliskDataParser.h>

Inheritance diagram for vtkBlueObeliskDataParser:

Collaboration diagram for vtkBlueObeliskDataParser:

Public Types
typedef vtkXMLParser	Superclass

Public Types inherited from vtkXMLParser
typedef vtkObject	Superclass

Public Member Functions
virtual int	IsA (const char *type)
	Return 1 if this class is the same type of (or a subclass of) the named class. More...

vtkBlueObeliskDataParser *	NewInstance () const

virtual void	SetTarget (vtkBlueObeliskData *bodr)
	Set the target vtkBlueObeliskData object that this parser will populate. More...

virtual int	Parse ()
	Start parsing. More...


virtual int	Parse (const char *)
	These are only implemented to prevent compiler warnings about hidden virtual overloads. More...

virtual int	Parse (const char *, unsigned int)
	These are only implemented to prevent compiler warnings about hidden virtual overloads. More...

Public Member Functions inherited from vtkXMLParser
vtkXMLParser *	NewInstance () const

void	PrintSelf (ostream &os, vtkIndent indent)
	Methods invoked by print to print information about the object including superclasses. More...

virtual void	SetStream (istream *)
	Get/Set the input stream. More...

virtual istream *	GetStream ()
	Get/Set the input stream. More...

vtkTypeInt64	TellG ()
	Used by subclasses and their supporting classes. More...

void	SeekG (vtkTypeInt64 position)
	Used by subclasses and their supporting classes. More...

virtual int	InitializeParser ()
	When parsing fragments of XML, or when streaming XML, use the following three methods: More...

virtual int	ParseChunk (const char *inputString, unsigned int length)
	When parsing fragments of XML, or when streaming XML, use the following three methods: More...

virtual int	CleanupParser ()
	When parsing fragments of XML, or when streaming XML, use the following three methods: More...

virtual void	SetFileName (const char *)
	Set and get file name. More...

virtual char *	GetFileName ()
	Set and get file name. More...

virtual void	SetIgnoreCharacterData (int)
	If this is off (the default), CharacterDataHandler will be called to process text within XML Elements. More...

virtual int	GetIgnoreCharacterData ()
	If this is off (the default), CharacterDataHandler will be called to process text within XML Elements. More...

virtual void	SetEncoding (const char *)
	Set and get the encoding the parser should expect (NULL defaults to Expat's own default encoder, i.e UTF-8). More...

virtual char *	GetEncoding ()
	Set and get the encoding the parser should expect (NULL defaults to Expat's own default encoder, i.e UTF-8). More...

Public Member Functions inherited from vtkObject
	vtkBaseTypeMacro (vtkObject, vtkObjectBase)

virtual void	DebugOn ()
	Turn debugging output on. More...

virtual void	DebugOff ()
	Turn debugging output off. More...

bool	GetDebug ()
	Get the value of the debug flag. More...

void	SetDebug (bool debugFlag)
	Set the value of the debug flag. More...

virtual void	Modified ()
	Update the modification time for this object. More...

virtual vtkMTimeType	GetMTime ()
	Return this object's modified time. More...

void	RemoveObserver (unsigned long tag)

void	RemoveObservers (unsigned long event)

void	RemoveObservers (const char *event)

void	RemoveAllObservers ()

int	HasObserver (unsigned long event)

int	HasObserver (const char *event)

int	InvokeEvent (unsigned long event)

int	InvokeEvent (const char *event)

unsigned long	AddObserver (unsigned long event, vtkCommand *, float priority=0.0f)
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

unsigned long	AddObserver (const char event, vtkCommand , float priority=0.0f)
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

vtkCommand *	GetCommand (unsigned long tag)
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

void	RemoveObserver (vtkCommand *)
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

void	RemoveObservers (unsigned long event, vtkCommand *)
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

void	RemoveObservers (const char event, vtkCommand )
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

int	HasObserver (unsigned long event, vtkCommand *)
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

int	HasObserver (const char event, vtkCommand )
	Allow people to add/remove/invoke observers (callbacks) to any VTK object. More...

template<class U , class T >
unsigned long	AddObserver (unsigned long event, U observer, void(T::*callback)(), float priority=0.0f)
	Overloads to AddObserver that allow developers to add class member functions as callbacks for events. More...

template<class U , class T >
unsigned long	AddObserver (unsigned long event, U observer, void(T::callback)(vtkObject , unsigned long, void *), float priority=0.0f)
	Overloads to AddObserver that allow developers to add class member functions as callbacks for events. More...

template<class U , class T >
unsigned long	AddObserver (unsigned long event, U observer, bool(T::callback)(vtkObject , unsigned long, void *), float priority=0.0f)
	Allow user to set the AbortFlagOn() with the return value of the callback method. More...

int	InvokeEvent (unsigned long event, void *callData)
	This method invokes an event and return whether the event was aborted or not. More...

int	InvokeEvent (const char event, void callData)
	This method invokes an event and return whether the event was aborted or not. More...

Public Member Functions inherited from vtkObjectBase
const char *	GetClassName () const
	Return the class name as a string. More...

virtual void	Delete ()
	Delete a VTK object. More...

virtual void	FastDelete ()
	Delete a reference to this object. More...

void	InitializeObjectBase ()

void	Print (ostream &os)
	Print an object to an ostream. More...

virtual void	Register (vtkObjectBase *o)
	Increase the reference count (mark as used by another object). More...

virtual void	UnRegister (vtkObjectBase *o)
	Decrease the reference count (release by another object). More...

int	GetReferenceCount ()
	Return the current reference count of this object. More...

void	SetReferenceCount (int)
	Sets the reference count. More...

void	PrintRevisions (ostream &)
	Legacy. More...

virtual void	PrintHeader (ostream &os, vtkIndent indent)
	Methods invoked by print to print information about the object including superclasses. More...

virtual void	PrintTrailer (ostream &os, vtkIndent indent)
	Methods invoked by print to print information about the object including superclasses. More...

Static Public Member Functions
static int	IsTypeOf (const char *type)

static vtkBlueObeliskDataParser *	SafeDownCast (vtkObjectBase *o)

static vtkBlueObeliskDataParser *	New ()

Static Public Member Functions inherited from vtkXMLParser
static int	IsTypeOf (const char *type)

static vtkXMLParser *	SafeDownCast (vtkObjectBase *o)

static vtkXMLParser *	New ()

Static Public Member Functions inherited from vtkObject
static vtkObject *	New ()
	Create an object with Debug turned off, modified time initialized to zero, and reference counting on. More...

static void	BreakOnError ()
	This method is called when vtkErrorMacro executes. More...

static void	SetGlobalWarningDisplay (int val)
	This is a global flag that controls whether any debug, warning or error messages are displayed. More...

static void	GlobalWarningDisplayOn ()
	This is a global flag that controls whether any debug, warning or error messages are displayed. More...

static void	GlobalWarningDisplayOff ()
	This is a global flag that controls whether any debug, warning or error messages are displayed. More...

static int	GetGlobalWarningDisplay ()
	This is a global flag that controls whether any debug, warning or error messages are displayed. More...

Static Public Member Functions inherited from vtkObjectBase
static vtkTypeBool	IsTypeOf (const char *name)
	Return 1 if this class type is the same type of (or a subclass of) the named class. More...

static vtkObjectBase *	New ()
	Create an object with Debug turned off, modified time initialized to zero, and reference counting on. More...

Protected Types
enum	AtomValueType { None = 0, AtomicNumber, Symbol, Name, PeriodicTableBlock, ElectronicConfiguration, Family, Mass, ExactMass, IonizationEnergy, ElectronAffinity, PaulingElectronegativity, CovalentRadius, VDWRadius, DefaultColor, BoilingPoint, MeltingPoint, Period, Group }

Protected Member Functions
virtual vtkObjectBase *	NewInstanceInternal () const

	vtkBlueObeliskDataParser ()

	~vtkBlueObeliskDataParser ()

void	StartElement (const char name, const char *attr)

void	EndElement (const char *name)

void	CharacterDataHandler (const char *data, int length)

void	SetCurrentValue (const char *data, int length)

void	SetCurrentValue (const char *data)

void	NewAtomStarted (const char **attr)

void	NewAtomFinished ()

void	NewValueStarted (const char **attr)

void	NewValueFinished ()

Protected Member Functions inherited from vtkXMLParser
	vtkXMLParser ()

	~vtkXMLParser ()

virtual int	CreateParser ()

virtual int	ParseXML ()

virtual int	ParsingComplete ()

virtual void	ReportStrayAttribute (const char element, const char attr, const char *value)

virtual void	ReportMissingAttribute (const char element, const char attr)

virtual void	ReportBadAttribute (const char element, const char attr, const char *value)

virtual void	ReportUnknownElement (const char *element)

virtual void	ReportXmlParseError ()

vtkTypeInt64	GetXMLByteIndex ()

virtual int	ParseBuffer (const char *buffer, unsigned int count)

int	ParseBuffer (const char *buffer)

Protected Member Functions inherited from vtkObject
	vtkObject ()

	~vtkObject () override

void	RegisterInternal (vtkObjectBase *, vtkTypeBool check) override

void	UnRegisterInternal (vtkObjectBase *, vtkTypeBool check) override

void	InternalGrabFocus (vtkCommand mouseEvents, vtkCommand keypressEvents=NULL)
	These methods allow a command to exclusively grab all events. More...

void	InternalReleaseFocus ()
	These methods allow a command to exclusively grab all events. More...

Protected Member Functions inherited from vtkObjectBase
	vtkObjectBase ()

virtual	~vtkObjectBase ()

virtual void	CollectRevisions (ostream &)

virtual void	ReportReferences (vtkGarbageCollector *)

	vtkObjectBase (const vtkObjectBase &)

void	operator= (const vtkObjectBase &)

Protected Attributes
vtkBlueObeliskData *	Target

bool	IsProcessingAtom

bool	IsProcessingValue

std::string	CharacterDataValueBuffer

enum vtkBlueObeliskDataParser::AtomValueType	CurrentValueType

int	CurrentAtomicNumber

vtkStdString *	CurrentSymbol

vtkStdString *	CurrentName

vtkStdString *	CurrentPeriodicTableBlock

vtkStdString *	CurrentElectronicConfiguration

vtkStdString *	CurrentFamily

float	CurrentMass

float	CurrentExactMass

float	CurrentIonizationEnergy

float	CurrentElectronAffinity

float	CurrentPaulingElectronegativity

float	CurrentCovalentRadius

float	CurrentVDWRadius

float	CurrentDefaultColor [3]

float	CurrentBoilingPoint

float	CurrentMeltingPoint

unsigned int	CurrentPeriod

unsigned int	CurrentGroup

Protected Attributes inherited from vtkXMLParser
istream *	Stream

char *	FileName

char *	Encoding

int	ParseError

const char *	InputString

int	InputStringLength

void *	Parser

int	IgnoreCharacterData

Protected Attributes inherited from vtkObject
bool	Debug

vtkTimeStamp	MTime

vtkSubjectHelper *	SubjectHelper

Protected Attributes inherited from vtkObjectBase
vtkAtomicInt32	ReferenceCount

vtkWeakPointerBase **	WeakPointers

Additional Inherited Members
Static Protected Member Functions inherited from vtkXMLParser
static int	IsSpace (char c)

Detailed Description

Fill a vtkBlueObeliskData container with data from the BODR XML dataset.

The Blue Obelisk Data Repository is a free, open repository of chemical information. This class extracts the BODR information into vtk arrays, which are stored in a vtkBlueObeliskData object.

Warning: The vtkBlueObeliskDataParser class should never need to be used directly. For convenient access to the BODR data, use vtkPeriodicTable. For access to the raw arrays produced by this parser, see the vtkBlueObeliskData class. A static vtkBlueObeliskData object is accessible via vtkPeriodicTable::GetBlueObeliskData().

See also: vtkPeriodicTable vtkBlueObeliskData

Definition at line 51 of file vtkBlueObeliskDataParser.h.

Member Typedef Documentation

typedef vtkXMLParser vtkBlueObeliskDataParser::Superclass

Definition at line 54 of file vtkBlueObeliskDataParser.h.

Member Enumeration Documentation

enum vtkBlueObeliskDataParser::AtomValueType

protected

Enumerator
None
AtomicNumber
Symbol
Name
PeriodicTableBlock
ElectronicConfiguration
Family
Mass
ExactMass
IonizationEnergy
ElectronAffinity
PaulingElectronegativity
CovalentRadius
VDWRadius
DefaultColor
BoilingPoint
MeltingPoint
Period
Group

Definition at line 102 of file vtkBlueObeliskDataParser.h.

Constructor & Destructor Documentation

vtkBlueObeliskDataParser::vtkBlueObeliskDataParser ( )

protected

vtkBlueObeliskDataParser::~vtkBlueObeliskDataParser ( )

protected

Member Function Documentation

static int vtkBlueObeliskDataParser::IsTypeOf ( const char * type )

static

virtual int vtkBlueObeliskDataParser::IsA ( const char * name )

virtual

Return 1 if this class is the same type of (or a subclass of) the named class.

Returns 0 otherwise. This method works in combination with vtkTypeMacro found in vtkSetGet.h.

Reimplemented from vtkXMLParser.

static vtkBlueObeliskDataParser* vtkBlueObeliskDataParser::SafeDownCast ( vtkObjectBase * o )

static

virtual vtkObjectBase* vtkBlueObeliskDataParser::NewInstanceInternal ( ) const

protectedvirtual

Reimplemented from vtkXMLParser.

vtkBlueObeliskDataParser* vtkBlueObeliskDataParser::NewInstance ( ) const

static vtkBlueObeliskDataParser* vtkBlueObeliskDataParser::New ( )

static

virtual void vtkBlueObeliskDataParser::SetTarget ( vtkBlueObeliskData * bodr )

virtual

Set the target vtkBlueObeliskData object that this parser will populate.

virtual int vtkBlueObeliskDataParser::Parse ( )

virtual

Start parsing.

Reimplemented from vtkXMLParser.

virtual int vtkBlueObeliskDataParser::Parse ( const char * )

virtual

These are only implemented to prevent compiler warnings about hidden virtual overloads.

This function simply call Parse(); the arguments are ignored.

Reimplemented from vtkXMLParser.

virtual int vtkBlueObeliskDataParser::Parse	(	const char *	,
		unsigned	int
	)

virtual

These are only implemented to prevent compiler warnings about hidden virtual overloads.

This function simply call Parse(); the arguments are ignored.

Reimplemented from vtkXMLParser.

void vtkBlueObeliskDataParser::StartElement	(	const char *	name,
		const char **	attr
	)

protectedvirtual

Reimplemented from vtkXMLParser.

void vtkBlueObeliskDataParser::EndElement ( const char * name )

protectedvirtual

Reimplemented from vtkXMLParser.

void vtkBlueObeliskDataParser::CharacterDataHandler	(	const char *	data,
		int	length
	)

protectedvirtual

Reimplemented from vtkXMLParser.

void vtkBlueObeliskDataParser::SetCurrentValue	(	const char *	data,
		int	length
	)

protected

void vtkBlueObeliskDataParser::SetCurrentValue ( const char * data )

protected

void vtkBlueObeliskDataParser::NewAtomStarted ( const char ** attr )

protected

void vtkBlueObeliskDataParser::NewAtomFinished ( )

protected

void vtkBlueObeliskDataParser::NewValueStarted ( const char ** attr )

protected

void vtkBlueObeliskDataParser::NewValueFinished ( )

protected

Member Data Documentation

vtkBlueObeliskData* vtkBlueObeliskDataParser::Target

protected

Definition at line 90 of file vtkBlueObeliskDataParser.h.

bool vtkBlueObeliskDataParser::IsProcessingAtom

protected

Definition at line 92 of file vtkBlueObeliskDataParser.h.

bool vtkBlueObeliskDataParser::IsProcessingValue

protected

Definition at line 96 of file vtkBlueObeliskDataParser.h.

std::string vtkBlueObeliskDataParser::CharacterDataValueBuffer

protected

Definition at line 100 of file vtkBlueObeliskDataParser.h.

enum vtkBlueObeliskDataParser::AtomValueType vtkBlueObeliskDataParser::CurrentValueType

protected

int vtkBlueObeliskDataParser::CurrentAtomicNumber

protected

Definition at line 124 of file vtkBlueObeliskDataParser.h.

vtkStdString* vtkBlueObeliskDataParser::CurrentSymbol

protected

Definition at line 125 of file vtkBlueObeliskDataParser.h.

vtkStdString* vtkBlueObeliskDataParser::CurrentName

protected

Definition at line 126 of file vtkBlueObeliskDataParser.h.

vtkStdString* vtkBlueObeliskDataParser::CurrentPeriodicTableBlock

protected

Definition at line 127 of file vtkBlueObeliskDataParser.h.

vtkStdString* vtkBlueObeliskDataParser::CurrentElectronicConfiguration

protected

Definition at line 128 of file vtkBlueObeliskDataParser.h.

vtkStdString* vtkBlueObeliskDataParser::CurrentFamily

protected

Definition at line 129 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentMass

protected

Definition at line 130 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentExactMass

protected

Definition at line 131 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentIonizationEnergy

protected

Definition at line 132 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentElectronAffinity

protected

Definition at line 133 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentPaulingElectronegativity

protected

Definition at line 134 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentCovalentRadius

protected

Definition at line 135 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentVDWRadius

protected

Definition at line 136 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentDefaultColor[3]

protected

Definition at line 137 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentBoilingPoint

protected

Definition at line 138 of file vtkBlueObeliskDataParser.h.

float vtkBlueObeliskDataParser::CurrentMeltingPoint

protected

Definition at line 139 of file vtkBlueObeliskDataParser.h.

unsigned int vtkBlueObeliskDataParser::CurrentPeriod

protected

Definition at line 140 of file vtkBlueObeliskDataParser.h.

unsigned int vtkBlueObeliskDataParser::CurrentGroup

protected

Definition at line 141 of file vtkBlueObeliskDataParser.h.

The documentation for this class was generated from the following file:

/home/demarle/Builds/VTK/release/Utilities/Doxygen/dox/Domains/Chemistry/vtkBlueObeliskDataParser.h

Public Types

Public Member Functions

Static Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Member Typedef Documentation

Member Enumeration Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation