VTK  9.0.20200605
Public Types | Public Member Functions | Static Public Member Functions | Protected Member Functions | Protected Attributes | Friends | List of all members
vtkBlueObeliskData Class Reference

Contains chemical data from the Blue Obelisk Data Repository. More...

#include <vtkBlueObeliskData.h>

Inheritance diagram for vtkBlueObeliskData:
[legend]
Collaboration diagram for vtkBlueObeliskData:
[legend]

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...
 
vtkBlueObeliskDataNewInstance () const
 
void PrintSelf (ostream &os, vtkIndent indent) override
 Methods invoked by print to print information about the object including superclasses. More...
 
void Initialize ()
 Fill this object using an internal vtkBlueObeliskDataParser instance. More...
 
bool IsInitialized ()
 Check if this object has been initialized yet. More...
 
virtual vtkSimpleMutexLockGetWriteMutex ()
 Access the mutex that protects the arrays during a call to Initialize() More...
 
virtual unsigned short GetNumberOfElements ()
 Return the number of elements for which this vtkBlueObeliskData instance contains information. More...
 
 vtkGetNewMacro (Symbols, vtkStringArray)
 Access the raw arrays stored in this vtkBlueObeliskData. More...
 
 vtkGetNewMacro (LowerSymbols, vtkStringArray)
 
 vtkGetNewMacro (Names, vtkStringArray)
 
 vtkGetNewMacro (LowerNames, vtkStringArray)
 
 vtkGetNewMacro (PeriodicTableBlocks, vtkStringArray)
 
 vtkGetNewMacro (ElectronicConfigurations, vtkStringArray)
 
 vtkGetNewMacro (Families, vtkStringArray)
 
 vtkGetNewMacro (Masses, vtkFloatArray)
 
 vtkGetNewMacro (ExactMasses, vtkFloatArray)
 
 vtkGetNewMacro (IonizationEnergies, vtkFloatArray)
 
 vtkGetNewMacro (ElectronAffinities, vtkFloatArray)
 
 vtkGetNewMacro (PaulingElectronegativities, vtkFloatArray)
 
 vtkGetNewMacro (CovalentRadii, vtkFloatArray)
 
 vtkGetNewMacro (VDWRadii, vtkFloatArray)
 
 vtkGetNewMacro (DefaultColors, vtkFloatArray)
 
 vtkGetNewMacro (BoilingPoints, vtkFloatArray)
 
 vtkGetNewMacro (MeltingPoints, vtkFloatArray)
 
 vtkGetNewMacro (Periods, vtkUnsignedShortArray)
 
 vtkGetNewMacro (Groups, vtkUnsignedShortArray)
 
- 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...
 
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)
 
vtkCommandGetCommand (unsigned long tag)
 
void RemoveObserver (vtkCommand *)
 
void RemoveObservers (unsigned long event, vtkCommand *)
 
void RemoveObservers (const char *event, vtkCommand *)
 
vtkTypeBool HasObserver (unsigned long event, vtkCommand *)
 
vtkTypeBool HasObserver (const char *event, vtkCommand *)
 
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)
 
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)
 
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)
 
int InvokeEvent (unsigned long event)
 
int InvokeEvent (const char *event)
 
- Public Member Functions inherited from vtkObjectBase
const char * GetClassName () const
 Return the class name as a string. 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 PrintHeader (ostream &os, vtkIndent indent)
 
virtual void PrintTrailer (ostream &os, vtkIndent indent)
 
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...
 

Static Public Member Functions

static vtkTypeBool IsTypeOf (const char *type)
 
static vtkBlueObeliskDataSafeDownCast (vtkObjectBase *o)
 
static vtkBlueObeliskDataNew ()
 
static bool GenerateHeaderFromXML (std::istream &xml, std::ostream &header)
 Static method to generate the data header file used by this class from the BODR elements.xml. More...
 
- Static Public Member Functions inherited from vtkObject
static vtkObjectNew ()
 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 ()
 
static void GlobalWarningDisplayOff ()
 
static int GetGlobalWarningDisplay ()
 
- 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 vtkObjectBaseNew ()
 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 vtkObjectBaseNewInstanceInternal () const
 
 vtkBlueObeliskData ()
 
 ~vtkBlueObeliskData () override
 
virtual vtkTypeBool Allocate (vtkIdType sz, vtkIdType ext=1000)
 Allocate enough memory in each array for sz elements. More...
 
virtual void Reset ()
 Reset each array. More...
 
virtual void Squeeze ()
 Free any unused memory in the member arrays. More...
 
void PrintSelfIfExists (const char *, vtkObject *, ostream &, vtkIndent)
 
- 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 ()
 
- Protected Member Functions inherited from vtkObjectBase
 vtkObjectBase ()
 
virtual ~vtkObjectBase ()
 
virtual void ReportReferences (vtkGarbageCollector *)
 
 vtkObjectBase (const vtkObjectBase &)
 
void operator= (const vtkObjectBase &)
 

Protected Attributes

vtkSimpleMutexLockWriteMutex
 
bool Initialized
 
unsigned short NumberOfElements
 
MyStdVectorOfVtkAbstractArrays * Arrays
 
vtkNew< vtkStringArraySymbols
 
vtkNew< vtkStringArrayLowerSymbols
 
vtkNew< vtkStringArrayNames
 
vtkNew< vtkStringArrayLowerNames
 
vtkNew< vtkStringArrayPeriodicTableBlocks
 
vtkNew< vtkStringArrayElectronicConfigurations
 
vtkNew< vtkStringArrayFamilies
 
vtkNew< vtkFloatArrayMasses
 
vtkNew< vtkFloatArrayExactMasses
 
vtkNew< vtkFloatArrayIonizationEnergies
 
vtkNew< vtkFloatArrayElectronAffinities
 
vtkNew< vtkFloatArrayPaulingElectronegativities
 
vtkNew< vtkFloatArrayCovalentRadii
 
vtkNew< vtkFloatArrayVDWRadii
 
vtkNew< vtkFloatArrayDefaultColors
 
vtkNew< vtkFloatArrayBoilingPoints
 
vtkNew< vtkFloatArrayMeltingPoints
 
vtkNew< vtkUnsignedShortArrayPeriods
 
vtkNew< vtkUnsignedShortArrayGroups
 
- Protected Attributes inherited from vtkObject
bool Debug
 
vtkTimeStamp MTime
 
vtkSubjectHelper * SubjectHelper
 
- Protected Attributes inherited from vtkObjectBase
std::atomic< int32_t > ReferenceCount
 
vtkWeakPointerBase ** WeakPointers
 

Friends

class vtkBlueObeliskDataParser
 

Additional Inherited Members

- Static Protected Member Functions inherited from vtkObjectBase
static vtkMallocingFunction GetCurrentMallocFunction ()
 
static vtkReallocingFunction GetCurrentReallocFunction ()
 
static vtkFreeingFunction GetCurrentFreeFunction ()
 
static vtkFreeingFunction GetAlternateFreeFunction ()
 

Detailed Description

Contains chemical data from the Blue Obelisk Data Repository.

The Blue Obelisk Data Repository is a free, open repository of chemical information. This class is a container for this information.

Note
This class contains only the raw arrays parsed from the BODR. For more convenient access to this data, use the vtkPeriodicTable class.
If you must use this class directly, consider using the static vtkBlueObeliskData object accessible through vtkPeriodicTable::GetBlueObeliskData(). This object is automatically populated on the first instantiation of vtkPeriodicTable.

Definition at line 52 of file vtkBlueObeliskData.h.

Member Typedef Documentation

◆ Superclass

Definition at line 55 of file vtkBlueObeliskData.h.

Constructor & Destructor Documentation

◆ vtkBlueObeliskData()

vtkBlueObeliskData::vtkBlueObeliskData ( )
protected

◆ ~vtkBlueObeliskData()

vtkBlueObeliskData::~vtkBlueObeliskData ( )
overrideprotected

Member Function Documentation

◆ IsTypeOf()

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

◆ IsA()

virtual vtkTypeBool vtkBlueObeliskData::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 vtkBlueObeliskData* vtkBlueObeliskData::SafeDownCast ( vtkObjectBase o)
static

◆ NewInstanceInternal()

virtual vtkObjectBase* vtkBlueObeliskData::NewInstanceInternal ( ) const
protectedvirtual

◆ NewInstance()

vtkBlueObeliskData* vtkBlueObeliskData::NewInstance ( ) const

◆ PrintSelf()

void vtkBlueObeliskData::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 vtkBlueObeliskData* vtkBlueObeliskData::New ( )
static

◆ Initialize()

void vtkBlueObeliskData::Initialize ( )

Fill this object using an internal vtkBlueObeliskDataParser instance.

Check that the vtkSimpleMutexLock GetWriteMutex() is locked before calling this method on a static instance in a multithreaded environment.

◆ IsInitialized()

bool vtkBlueObeliskData::IsInitialized ( )
inline

Check if this object has been initialized yet.

Definition at line 70 of file vtkBlueObeliskData.h.

◆ GetWriteMutex()

virtual vtkSimpleMutexLock* vtkBlueObeliskData::GetWriteMutex ( )
virtual

Access the mutex that protects the arrays during a call to Initialize()

◆ GetNumberOfElements()

virtual unsigned short vtkBlueObeliskData::GetNumberOfElements ( )
virtual

Return the number of elements for which this vtkBlueObeliskData instance contains information.

◆ vtkGetNewMacro() [1/19]

vtkBlueObeliskData::vtkGetNewMacro ( Symbols  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

◆ vtkGetNewMacro() [2/19]

vtkBlueObeliskData::vtkGetNewMacro ( LowerSymbols  ,
vtkStringArray   
)

◆ vtkGetNewMacro() [3/19]

vtkBlueObeliskData::vtkGetNewMacro ( Names  ,
vtkStringArray   
)

◆ vtkGetNewMacro() [4/19]

vtkBlueObeliskData::vtkGetNewMacro ( LowerNames  ,
vtkStringArray   
)

◆ vtkGetNewMacro() [5/19]

vtkBlueObeliskData::vtkGetNewMacro ( PeriodicTableBlocks  ,
vtkStringArray   
)

◆ vtkGetNewMacro() [6/19]

vtkBlueObeliskData::vtkGetNewMacro ( ElectronicConfigurations  ,
vtkStringArray   
)

◆ vtkGetNewMacro() [7/19]

vtkBlueObeliskData::vtkGetNewMacro ( Families  ,
vtkStringArray   
)

◆ vtkGetNewMacro() [8/19]

vtkBlueObeliskData::vtkGetNewMacro ( Masses  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [9/19]

vtkBlueObeliskData::vtkGetNewMacro ( ExactMasses  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [10/19]

vtkBlueObeliskData::vtkGetNewMacro ( IonizationEnergies  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [11/19]

vtkBlueObeliskData::vtkGetNewMacro ( ElectronAffinities  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [12/19]

vtkBlueObeliskData::vtkGetNewMacro ( PaulingElectronegativities  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [13/19]

vtkBlueObeliskData::vtkGetNewMacro ( CovalentRadii  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [14/19]

vtkBlueObeliskData::vtkGetNewMacro ( VDWRadii  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [15/19]

vtkBlueObeliskData::vtkGetNewMacro ( DefaultColors  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [16/19]

vtkBlueObeliskData::vtkGetNewMacro ( BoilingPoints  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [17/19]

vtkBlueObeliskData::vtkGetNewMacro ( MeltingPoints  ,
vtkFloatArray   
)

◆ vtkGetNewMacro() [18/19]

vtkBlueObeliskData::vtkGetNewMacro ( Periods  ,
vtkUnsignedShortArray   
)

◆ vtkGetNewMacro() [19/19]

vtkBlueObeliskData::vtkGetNewMacro ( Groups  ,
vtkUnsignedShortArray   
)

◆ GenerateHeaderFromXML()

static bool vtkBlueObeliskData::GenerateHeaderFromXML ( std::istream &  xml,
std::ostream &  header 
)
static

Static method to generate the data header file used by this class from the BODR elements.xml.

See the GenerateBlueObeliskHeader test in this module.

◆ Allocate()

virtual vtkTypeBool vtkBlueObeliskData::Allocate ( vtkIdType  sz,
vtkIdType  ext = 1000 
)
protectedvirtual

Allocate enough memory in each array for sz elements.

ext is not used.

◆ Reset()

virtual void vtkBlueObeliskData::Reset ( )
protectedvirtual

Reset each array.

◆ Squeeze()

virtual void vtkBlueObeliskData::Squeeze ( )
protectedvirtual

Free any unused memory in the member arrays.

◆ PrintSelfIfExists()

void vtkBlueObeliskData::PrintSelfIfExists ( const char *  ,
vtkObject ,
ostream &  ,
vtkIndent   
)
protected

Friends And Related Function Documentation

◆ vtkBlueObeliskDataParser

friend class vtkBlueObeliskDataParser
friend

Definition at line 122 of file vtkBlueObeliskData.h.

Member Data Documentation

◆ WriteMutex

vtkSimpleMutexLock* vtkBlueObeliskData::WriteMutex
protected

Definition at line 127 of file vtkBlueObeliskData.h.

◆ Initialized

bool vtkBlueObeliskData::Initialized
protected

Definition at line 128 of file vtkBlueObeliskData.h.

◆ NumberOfElements

unsigned short vtkBlueObeliskData::NumberOfElements
protected

Definition at line 146 of file vtkBlueObeliskData.h.

◆ Arrays

MyStdVectorOfVtkAbstractArrays* vtkBlueObeliskData::Arrays
protected

Definition at line 149 of file vtkBlueObeliskData.h.

◆ Symbols

vtkNew<vtkStringArray> vtkBlueObeliskData::Symbols
protected

Definition at line 152 of file vtkBlueObeliskData.h.

◆ LowerSymbols

vtkNew<vtkStringArray> vtkBlueObeliskData::LowerSymbols
protected

Definition at line 153 of file vtkBlueObeliskData.h.

◆ Names

vtkNew<vtkStringArray> vtkBlueObeliskData::Names
protected

Definition at line 156 of file vtkBlueObeliskData.h.

◆ LowerNames

vtkNew<vtkStringArray> vtkBlueObeliskData::LowerNames
protected

Definition at line 157 of file vtkBlueObeliskData.h.

◆ PeriodicTableBlocks

vtkNew<vtkStringArray> vtkBlueObeliskData::PeriodicTableBlocks
protected

Definition at line 160 of file vtkBlueObeliskData.h.

◆ ElectronicConfigurations

vtkNew<vtkStringArray> vtkBlueObeliskData::ElectronicConfigurations
protected

Definition at line 161 of file vtkBlueObeliskData.h.

◆ Families

vtkNew<vtkStringArray> vtkBlueObeliskData::Families
protected

Definition at line 162 of file vtkBlueObeliskData.h.

◆ Masses

vtkNew<vtkFloatArray> vtkBlueObeliskData::Masses
protected

Definition at line 165 of file vtkBlueObeliskData.h.

◆ ExactMasses

vtkNew<vtkFloatArray> vtkBlueObeliskData::ExactMasses
protected

Definition at line 166 of file vtkBlueObeliskData.h.

◆ IonizationEnergies

vtkNew<vtkFloatArray> vtkBlueObeliskData::IonizationEnergies
protected

Definition at line 167 of file vtkBlueObeliskData.h.

◆ ElectronAffinities

vtkNew<vtkFloatArray> vtkBlueObeliskData::ElectronAffinities
protected

Definition at line 168 of file vtkBlueObeliskData.h.

◆ PaulingElectronegativities

vtkNew<vtkFloatArray> vtkBlueObeliskData::PaulingElectronegativities
protected

Definition at line 169 of file vtkBlueObeliskData.h.

◆ CovalentRadii

vtkNew<vtkFloatArray> vtkBlueObeliskData::CovalentRadii
protected

Definition at line 170 of file vtkBlueObeliskData.h.

◆ VDWRadii

vtkNew<vtkFloatArray> vtkBlueObeliskData::VDWRadii
protected

Definition at line 171 of file vtkBlueObeliskData.h.

◆ DefaultColors

vtkNew<vtkFloatArray> vtkBlueObeliskData::DefaultColors
protected

Definition at line 172 of file vtkBlueObeliskData.h.

◆ BoilingPoints

vtkNew<vtkFloatArray> vtkBlueObeliskData::BoilingPoints
protected

Definition at line 173 of file vtkBlueObeliskData.h.

◆ MeltingPoints

vtkNew<vtkFloatArray> vtkBlueObeliskData::MeltingPoints
protected

Definition at line 174 of file vtkBlueObeliskData.h.

◆ Periods

vtkNew<vtkUnsignedShortArray> vtkBlueObeliskData::Periods
protected

Definition at line 175 of file vtkBlueObeliskData.h.

◆ Groups

vtkNew<vtkUnsignedShortArray> vtkBlueObeliskData::Groups
protected

Definition at line 176 of file vtkBlueObeliskData.h.


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