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