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39 #ifndef vtkBlueObeliskData_h
40 #define vtkBlueObeliskData_h
42 #include "vtkDomainsChemistryModule.h"
53 class MyStdVectorOfVtkAbstractArrays;
88 vtkGetMacro(NumberOfElements,
unsigned short);
122 static bool GenerateHeaderFromXML(std::istream &xml, std::ostream &header);
142 virtual void Reset();
147 virtual void Squeeze();
vtkNew< vtkFloatArray > PaulingElectronegativities
vtkNew< vtkStringArray > Families
static const float VDWRadii[119][1]
vtkNew< vtkFloatArray > MeltingPoints
vtkNew< vtkStringArray > ElectronicConfigurations
static const char * LowerSymbols[119]
dynamic, self-adjusting array of unsigned short
vtkNew< vtkStringArray > PeriodicTableBlocks
dynamic, self-adjusting array of float
vtkNew< vtkFloatArray > BoilingPoints
static const char * Families[119]
vtkNew< vtkUnsignedShortArray > Groups
static vtkObject * New()
Create an object with Debug turned off, modified time initialized to zero, and reference counting on.
static const float IonizationEnergies[119][1]
abstract base class for most VTK objects
vtkNew< vtkStringArray > LowerSymbols
static const float Masses[119][1]
bool IsInitialized()
Check if this object has been initialized yet.
static const char * PeriodicTableBlocks[119]
vtkNew< vtkStringArray > LowerNames
Fill a vtkBlueObeliskData container with data from the BODR XML dataset.
static const float BoilingPoints[119][1]
vtkNew< vtkFloatArray > DefaultColors
static const float ElectronAffinities[119][1]
vtkNew< vtkFloatArray > CovalentRadii
vtkNew< vtkStringArray > Symbols
static const unsigned short Periods[119][1]
static const float DefaultColors[119][3]
vtkSimpleMutexLock * WriteMutex
Contains chemical data from the Blue Obelisk Data Repository.
static const float PaulingElectronegativities[119][1]
static const char * LowerNames[119]
a simple class to control print indentation
vtkNew< vtkFloatArray > VDWRadii
vtkNew< vtkUnsignedShortArray > Periods
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtkNew< vtkStringArray > Names
unsigned short NumberOfElements
vtkNew< vtkFloatArray > IonizationEnergies
static const char * Names[119]
Abstract superclass for all arrays.
static const char * Symbols[119]
static const char * ElectronicConfigurations[119]
static const unsigned short Groups[119][1]
vtkNew< vtkFloatArray > ElectronAffinities
static const float MeltingPoints[119][1]
MyStdVectorOfVtkAbstractArrays * Arrays
a vtkAbstractArray subclass for strings
static const float CovalentRadii[119][1]
static const float ExactMasses[119][1]
vtkNew< vtkFloatArray > Masses
vtkNew< vtkFloatArray > ExactMasses