VTK
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Contains chemical data from the Blue Obelisk Data Repository. More...
#include <vtkBlueObeliskData.h>
Inherits vtkObject.
Public Types | |
typedef vtkObject | Superclass |
Static Public Member Functions | |
static int | IsTypeOf (const char *type) |
static vtkBlueObeliskData * | SafeDownCast (vtkObjectBase *o) |
static vtkBlueObeliskData * | New () |
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 |
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.
Definition at line 51 of file vtkBlueObeliskData.h.
typedef vtkObject vtkBlueObeliskData::Superclass |
Definition at line 54 of file vtkBlueObeliskData.h.
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vtkBlueObeliskData* vtkBlueObeliskData::NewInstance | ( | ) | const |
void vtkBlueObeliskData::PrintSelf | ( | ostream & | os, |
vtkIndent | indent | ||
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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.
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Check if this object has been initialized yet.
Definition at line 65 of file vtkBlueObeliskData.h.
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Access the mutex that protects the arrays during a call to Initialize()
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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 | |||
) |
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Allocate enough memory in each array for sz elements. ext is not used.
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Reset each array.
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Free any unused memory in the member arrays
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Definition at line 105 of file vtkBlueObeliskData.h.
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Definition at line 110 of file vtkBlueObeliskData.h.
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Definition at line 111 of file vtkBlueObeliskData.h.
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Definition at line 123 of file vtkBlueObeliskData.h.
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Definition at line 126 of file vtkBlueObeliskData.h.
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Definition at line 129 of file vtkBlueObeliskData.h.
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Definition at line 130 of file vtkBlueObeliskData.h.
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Definition at line 133 of file vtkBlueObeliskData.h.
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Definition at line 134 of file vtkBlueObeliskData.h.
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Definition at line 137 of file vtkBlueObeliskData.h.
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Definition at line 138 of file vtkBlueObeliskData.h.
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Definition at line 139 of file vtkBlueObeliskData.h.
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Definition at line 142 of file vtkBlueObeliskData.h.
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Definition at line 143 of file vtkBlueObeliskData.h.
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Definition at line 144 of file vtkBlueObeliskData.h.
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Definition at line 145 of file vtkBlueObeliskData.h.
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Definition at line 146 of file vtkBlueObeliskData.h.
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Definition at line 147 of file vtkBlueObeliskData.h.
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Definition at line 148 of file vtkBlueObeliskData.h.
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Definition at line 149 of file vtkBlueObeliskData.h.
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Definition at line 150 of file vtkBlueObeliskData.h.
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Definition at line 151 of file vtkBlueObeliskData.h.
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Definition at line 152 of file vtkBlueObeliskData.h.
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Definition at line 153 of file vtkBlueObeliskData.h.