Access to information about the elements. More...

#include <vtkPeriodicTable.h>

Inheritance diagram for vtkPeriodicTable:

Collaboration diagram for vtkPeriodicTable:

Public Types
typedef vtkObject	Superclass

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

vtkPeriodicTable *	NewInstance () const

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

unsigned short	GetNumberOfElements ()
	Returns the number of elements in the periodic table. More...

const char *	GetSymbol (unsigned short atomicNum)
	Given an atomic number, returns the symbol associated with the element. More...

const char *	GetElementName (unsigned short atomicNum)
	Given an atomic number, returns the name of the element. More...

float	GetCovalentRadius (unsigned short atomicNum)
	Given an atomic number, return the covalent radius of the atom. More...

float	GetVDWRadius (unsigned short atomicNum)
	Given an atomic number, returns the van der Waals radius of the atom. More...

float	GetMaxVDWRadius ()
	Given an atomic number, returns the van der Waals radius of the atom. More...

void	GetDefaultLUT (vtkLookupTable *)
	Fill the given vtkLookupTable to map atomic numbers to the familiar RGB tuples provided by the Blue Obelisk Data Repository. More...

void	GetDefaultRGBTuple (unsigned short atomicNum, float rgb[3])
	Given an atomic number, return the familiar RGB tuple provided by the Blue Obelisk Data Repository. More...

vtkColor3f	GetDefaultRGBTuple (unsigned short atomicNum)
	Given an atomic number, return the familiar RGB tuple provided by the Blue Obelisk Data Repository. More...


	vtkGetNewMacro (BlueObeliskData, vtkBlueObeliskData)
	Access the static vtkBlueObeliskData object for raw access to BODR data. More...


unsigned short	GetAtomicNumber (const vtkStdString &str)
	Given a case-insensitive string that contains the symbol or name of an element, return the corresponding atomic number. More...

unsigned short	GetAtomicNumber (const char *str)
	Given a case-insensitive string that contains the symbol or name of an element, return the corresponding atomic number. 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	PrintSelf (ostream &os, vtkIndent indent) override
	Methods invoked by print to print information about the object including superclasses. More...

void	RemoveObserver (unsigned long tag)

void	RemoveObservers (unsigned long event)

void	RemoveObservers (const char *event)

void	RemoveAllObservers ()

vtkTypeBool	HasObserver (unsigned long event)

vtkTypeBool	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...

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

vtkTypeBool	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 vtkTypeBool	IsA (const char *name)
	Return 1 if this class is the same type of (or a subclass of) the named class. More...

virtual vtkIdType	GetNumberOfGenerationsFromBase (const char *name)
	Given the name of a base class of this class type, return the distance of inheritance between this class type and the named class (how many generations of inheritance are there between this class and the named class). 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...

bool	GetIsInMemkind () const
	A local state flag that remembers whether this object lives in the normal or extended memory space. 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 vtkTypeBool	IsTypeOf (const char *type)

static vtkPeriodicTable *	SafeDownCast (vtkObjectBase *o)

static vtkPeriodicTable *	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 vtkIdType	GetNumberOfGenerationsFromBaseType (const char *name)
	Given a the name of a base class of this class type, return the distance of inheritance between this class type and the named class (how many generations of inheritance are there between this class and the named class). More...

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

static void	SetMemkindDirectory (const char *directoryname)
	The name of a directory, ideally mounted -o dax, to memory map an extended memory space within. More...

static bool	GetUsingMemkind ()
	A global state flag that controls whether vtkObjects are constructed in the usual way (the default) or within the extended memory space. More...

Protected Member Functions
virtual vtkObjectBase *	NewInstanceInternal () const

	vtkPeriodicTable ()

	~vtkPeriodicTable () override

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=nullptr)
	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	RegisterInternal (vtkObjectBase *, vtkTypeBool check)

virtual void	UnRegisterInternal (vtkObjectBase *, vtkTypeBool check)

virtual void	ReportReferences (vtkGarbageCollector *)

	vtkObjectBase (const vtkObjectBase &)

void	operator= (const vtkObjectBase &)

Static Protected Attributes
static vtkNew< vtkBlueObeliskData >	BlueObeliskData

Additional Inherited Members
Static Protected Member Functions inherited from vtkObjectBase
static vtkMallocingFunction	GetCurrentMallocFunction ()

static vtkReallocingFunction	GetCurrentReallocFunction ()

static vtkFreeingFunction	GetCurrentFreeFunction ()

static vtkFreeingFunction	GetAlternateFreeFunction ()

Protected Attributes inherited from vtkObject
bool	Debug

vtkTimeStamp	MTime

vtkSubjectHelper *	SubjectHelper

Protected Attributes inherited from vtkObjectBase
std::atomic< int32_t >	ReferenceCount

vtkWeakPointerBase **	WeakPointers

Detailed Description

Access to information about the elements.

Sourced from the Blue Obelisk Data Repository

See also: vtkBlueObeliskData vtkBlueObeliskDataParser

Definition at line 38 of file vtkPeriodicTable.h.

Member Typedef Documentation

◆ Superclass

typedef vtkObject vtkPeriodicTable::Superclass

Definition at line 41 of file vtkPeriodicTable.h.

Constructor & Destructor Documentation

◆ vtkPeriodicTable()

vtkPeriodicTable::vtkPeriodicTable ( )

protected

◆ ~vtkPeriodicTable()

vtkPeriodicTable::~vtkPeriodicTable ( )

overrideprotected

Member Function Documentation

◆ IsTypeOf()

static vtkTypeBool vtkPeriodicTable::IsTypeOf ( const char * type )

static

◆ IsA()

virtual vtkTypeBool vtkPeriodicTable::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 vtkObjectBase.

◆ SafeDownCast()

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

static

◆ NewInstanceInternal()

virtual vtkObjectBase * vtkPeriodicTable::NewInstanceInternal ( ) const

protectedvirtual

◆ NewInstance()

vtkPeriodicTable * vtkPeriodicTable::NewInstance ( ) const

◆ PrintSelf()

void vtkPeriodicTable::PrintSelf	(	ostream &	os,
		vtkIndent	indent
	)

overridevirtual

Methods invoked by print to print information about the object including superclasses.

Typically not called by the user (use Print() instead) but used in the hierarchical print process to combine the output of several classes.

Reimplemented from vtkObject.

◆ New()

static vtkPeriodicTable * vtkPeriodicTable::New ( )

static

◆ vtkGetNewMacro()

vtkPeriodicTable::vtkGetNewMacro	(	BlueObeliskData	,
		vtkBlueObeliskData
	)

Access the static vtkBlueObeliskData object for raw access to BODR data.

◆ GetNumberOfElements()

unsigned short vtkPeriodicTable::GetNumberOfElements ( )

Returns the number of elements in the periodic table.

◆ GetSymbol()

const char * vtkPeriodicTable::GetSymbol ( unsigned short atomicNum )

Given an atomic number, returns the symbol associated with the element.

◆ GetElementName()

const char * vtkPeriodicTable::GetElementName ( unsigned short atomicNum )

Given an atomic number, returns the name of the element.

◆ GetAtomicNumber() [1/2]

unsigned short vtkPeriodicTable::GetAtomicNumber ( const vtkStdString & str )

Given a case-insensitive string that contains the symbol or name of an element, return the corresponding atomic number.

◆ GetAtomicNumber() [2/2]

unsigned short vtkPeriodicTable::GetAtomicNumber ( const char * str )

Given a case-insensitive string that contains the symbol or name of an element, return the corresponding atomic number.

◆ GetCovalentRadius()

float vtkPeriodicTable::GetCovalentRadius ( unsigned short atomicNum )

Given an atomic number, return the covalent radius of the atom.

◆ GetVDWRadius()

float vtkPeriodicTable::GetVDWRadius ( unsigned short atomicNum )

Given an atomic number, returns the van der Waals radius of the atom.

◆ GetMaxVDWRadius()

float vtkPeriodicTable::GetMaxVDWRadius ( )

Given an atomic number, returns the van der Waals radius of the atom.

◆ GetDefaultLUT()

void vtkPeriodicTable::GetDefaultLUT ( vtkLookupTable * )

Fill the given vtkLookupTable to map atomic numbers to the familiar RGB tuples provided by the Blue Obelisk Data Repository.

◆ GetDefaultRGBTuple() [1/2]

void vtkPeriodicTable::GetDefaultRGBTuple	(	unsigned short	atomicNum,
		float	rgb[3]
	)

Given an atomic number, return the familiar RGB tuple provided by the Blue Obelisk Data Repository.

◆ GetDefaultRGBTuple() [2/2]

vtkColor3f vtkPeriodicTable::GetDefaultRGBTuple ( unsigned short atomicNum )

Given an atomic number, return the familiar RGB tuple provided by the Blue Obelisk Data Repository.

Member Data Documentation

◆ BlueObeliskData

vtkNew<vtkBlueObeliskData> vtkPeriodicTable::BlueObeliskData

staticprotected

Definition at line 117 of file vtkPeriodicTable.h.

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

Domains/Chemistry/vtkPeriodicTable.h

Public Types

Public Member Functions

Static Public Member Functions

Protected Member Functions

Static Protected Attributes

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ Superclass

Constructor & Destructor Documentation

◆ vtkPeriodicTable()

◆ ~vtkPeriodicTable()

Member Function Documentation

◆ IsTypeOf()

◆ IsA()

◆ SafeDownCast()

◆ NewInstanceInternal()

◆ NewInstance()

◆ PrintSelf()

◆ New()

◆ vtkGetNewMacro()

◆ GetNumberOfElements()

◆ GetSymbol()

◆ GetElementName()

◆ GetAtomicNumber() [1/2]

◆ GetAtomicNumber() [2/2]

◆ GetCovalentRadius()

◆ GetVDWRadius()

◆ GetMaxVDWRadius()

◆ GetDefaultLUT()

◆ GetDefaultRGBTuple() [1/2]

◆ GetDefaultRGBTuple() [2/2]

Member Data Documentation

◆ BlueObeliskData