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vtkBlueObeliskData Class Reference

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

#include <vtkBlueObeliskData.h>

Inherits vtkObject.

Public Types

typedef vtkObject Superclass
 

Public Member Functions

virtual int IsA (const char *type)
 
vtkBlueObeliskDataNewInstance () const
 
void PrintSelf (ostream &os, vtkIndent indent)
 
void Initialize ()
 
bool IsInitialized ()
 
 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)
 
virtual vtkSimpleMutexLock * GetWriteMutex ()
 
virtual unsigned short GetNumberOfElements ()
 
 vtkGetNewMacro (Symbols, vtkStringArray)
 
 vtkGetNewMacro (LowerSymbols, vtkStringArray)
 
 vtkGetNewMacro (Names, vtkStringArray)
 
 vtkGetNewMacro (LowerNames, vtkStringArray)
 
 vtkGetNewMacro (PeriodicTableBlocks, vtkStringArray)
 
 vtkGetNewMacro (ElectronicConfigurations, vtkStringArray)
 
 vtkGetNewMacro (Families, vtkStringArray)
 

Static Public Member Functions

static int IsTypeOf (const char *type)
 
static vtkBlueObeliskDataSafeDownCast (vtkObjectBase *o)
 
static vtkBlueObeliskDataNew ()
 

Protected Member Functions

virtual vtkObjectBase * NewInstanceInternal () const
 
 vtkBlueObeliskData ()
 
 ~vtkBlueObeliskData ()
 
virtual int Allocate (vtkIdType sz, vtkIdType ext=1000)
 
virtual void Reset ()
 
virtual void Squeeze ()
 
void PrintSelfIfExists (const char *, vtkObject *, ostream &, vtkIndent)
 

Protected Attributes

vtkSimpleMutexLock * WriteMutex
 
bool Initialized
 
unsigned short NumberOfElements
 
MyStdVectorOfVtkAbstractArrays * Arrays
 
vtkNew< vtkStringArray > Symbols
 
vtkNew< vtkStringArray > LowerSymbols
 
vtkNew< vtkStringArray > Names
 
vtkNew< vtkStringArray > LowerNames
 
vtkNew< vtkStringArray > PeriodicTableBlocks
 
vtkNew< vtkStringArray > ElectronicConfigurations
 
vtkNew< vtkStringArray > Families
 
vtkNew< vtkFloatArray > Masses
 
vtkNew< vtkFloatArray > ExactMasses
 
vtkNew< vtkFloatArray > IonizationEnergies
 
vtkNew< vtkFloatArray > ElectronAffinities
 
vtkNew< vtkFloatArray > PaulingElectronegativities
 
vtkNew< vtkFloatArray > CovalentRadii
 
vtkNew< vtkFloatArray > VDWRadii
 
vtkNew< vtkFloatArray > DefaultColors
 
vtkNew< vtkFloatArray > BoilingPoints
 
vtkNew< vtkFloatArray > MeltingPoints
 
vtkNew< vtkUnsignedShortArray > Periods
 
vtkNew< vtkUnsignedShortArray > Groups
 

Friends

class vtkBlueObeliskDataParser
 

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 51 of file vtkBlueObeliskData.h.

Member Typedef Documentation

typedef vtkObject vtkBlueObeliskData::Superclass

Definition at line 54 of file vtkBlueObeliskData.h.

Constructor & Destructor Documentation

vtkBlueObeliskData::vtkBlueObeliskData ( )
protected
vtkBlueObeliskData::~vtkBlueObeliskData ( )
protected

Member Function Documentation

static int vtkBlueObeliskData::IsTypeOf ( const char *  type)
static
virtual int vtkBlueObeliskData::IsA ( const char *  type)
virtual
static vtkBlueObeliskData* vtkBlueObeliskData::SafeDownCast ( vtkObjectBase *  o)
static
virtual vtkObjectBase* vtkBlueObeliskData::NewInstanceInternal ( ) const
protectedvirtual
vtkBlueObeliskData* vtkBlueObeliskData::NewInstance ( ) const
void vtkBlueObeliskData::PrintSelf ( ostream &  os,
vtkIndent  indent 
)
static vtkBlueObeliskData* vtkBlueObeliskData::New ( )
static
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.

bool vtkBlueObeliskData::IsInitialized ( )
inline

Check if this object has been initialized yet.

Definition at line 65 of file vtkBlueObeliskData.h.

virtual vtkSimpleMutexLock* vtkBlueObeliskData::GetWriteMutex ( )
virtual

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

virtual unsigned short vtkBlueObeliskData::GetNumberOfElements ( )
virtual

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

vtkBlueObeliskData::vtkGetNewMacro ( Symbols  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( LowerSymbols  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( Names  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( LowerNames  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( PeriodicTableBlocks  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( ElectronicConfigurations  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( Families  ,
vtkStringArray   
)

Access the raw arrays stored in this vtkBlueObeliskData.

vtkBlueObeliskData::vtkGetNewMacro ( Masses  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( ExactMasses  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( IonizationEnergies  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( ElectronAffinities  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( PaulingElectronegativities  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( CovalentRadii  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( VDWRadii  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( DefaultColors  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( BoilingPoints  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( MeltingPoints  ,
vtkFloatArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( Periods  ,
vtkUnsignedShortArray   
)
vtkBlueObeliskData::vtkGetNewMacro ( Groups  ,
vtkUnsignedShortArray   
)
virtual int vtkBlueObeliskData::Allocate ( vtkIdType  sz,
vtkIdType  ext = 1000 
)
protectedvirtual

Allocate enough memory in each array for sz elements. ext is not used.

virtual void vtkBlueObeliskData::Reset ( )
protectedvirtual

Reset each array.

virtual void vtkBlueObeliskData::Squeeze ( )
protectedvirtual

Free any unused memory in the member arrays

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

Friends And Related Function Documentation

friend class vtkBlueObeliskDataParser
friend

Definition at line 105 of file vtkBlueObeliskData.h.

Member Data Documentation

vtkSimpleMutexLock* vtkBlueObeliskData::WriteMutex
protected

Definition at line 110 of file vtkBlueObeliskData.h.

bool vtkBlueObeliskData::Initialized
protected

Definition at line 111 of file vtkBlueObeliskData.h.

unsigned short vtkBlueObeliskData::NumberOfElements
protected

Definition at line 123 of file vtkBlueObeliskData.h.

MyStdVectorOfVtkAbstractArrays* vtkBlueObeliskData::Arrays
protected

Definition at line 126 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::Symbols
protected

Definition at line 129 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::LowerSymbols
protected

Definition at line 130 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::Names
protected

Definition at line 133 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::LowerNames
protected

Definition at line 134 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::PeriodicTableBlocks
protected

Definition at line 137 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::ElectronicConfigurations
protected

Definition at line 138 of file vtkBlueObeliskData.h.

vtkNew<vtkStringArray> vtkBlueObeliskData::Families
protected

Definition at line 139 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::Masses
protected

Definition at line 142 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::ExactMasses
protected

Definition at line 143 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::IonizationEnergies
protected

Definition at line 144 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::ElectronAffinities
protected

Definition at line 145 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::PaulingElectronegativities
protected

Definition at line 146 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::CovalentRadii
protected

Definition at line 147 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::VDWRadii
protected

Definition at line 148 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::DefaultColors
protected

Definition at line 149 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::BoilingPoints
protected

Definition at line 150 of file vtkBlueObeliskData.h.

vtkNew<vtkFloatArray> vtkBlueObeliskData::MeltingPoints
protected

Definition at line 151 of file vtkBlueObeliskData.h.

vtkNew<vtkUnsignedShortArray> vtkBlueObeliskData::Periods
protected

Definition at line 152 of file vtkBlueObeliskData.h.

vtkNew<vtkUnsignedShortArray> vtkBlueObeliskData::Groups
protected

Definition at line 153 of file vtkBlueObeliskData.h.


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