VTK
9.1.0
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Contains chemical data from the Blue Obelisk Data Repository. More...
#include <vtkBlueObeliskData.h>
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... | |
vtkBlueObeliskData * | NewInstance () 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... | |
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 () |
Access the mutex that protects the arrays during a call to Initialize() More... | |
void | LockWriteMutex () |
Lock the mutex that protects the arrays during a call to Initialize(). More... | |
void | UnlockWriteMutex () |
Unlock 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) | |
Access the raw arrays stored in this vtkBlueObeliskData. More... | |
vtkGetNewMacro (Names, vtkStringArray) | |
Access the raw arrays stored in this vtkBlueObeliskData. More... | |
vtkGetNewMacro (LowerNames, vtkStringArray) | |
Access the raw arrays stored in this vtkBlueObeliskData. More... | |
vtkGetNewMacro (PeriodicTableBlocks, vtkStringArray) | |
Access the raw arrays stored in this vtkBlueObeliskData. More... | |
vtkGetNewMacro (ElectronicConfigurations, vtkStringArray) | |
Access the raw arrays stored in this vtkBlueObeliskData. More... | |
vtkGetNewMacro (Families, vtkStringArray) | |
Access the raw arrays stored in this vtkBlueObeliskData. More... | |
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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... | |
void | PrintSelf (ostream &os, vtkIndent indent) override |
Methods invoked by print to print information about the object including superclasses. More... | |
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) |
int | InvokeEvent (unsigned long event) |
int | InvokeEvent (const char *event) |
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) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
vtkCommand * | GetCommand (unsigned long tag) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
void | RemoveObserver (vtkCommand *) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
void | RemoveObservers (unsigned long event, vtkCommand *) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
void | RemoveObservers (const char *event, vtkCommand *) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
vtkTypeBool | HasObserver (unsigned long event, vtkCommand *) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
vtkTypeBool | HasObserver (const char *event, vtkCommand *) |
Allow people to add/remove/invoke observers (callbacks) to any VTK object. More... | |
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) |
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, 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) |
This method invokes an event and return whether the event was aborted or not. More... | |
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const char * | GetClassName () const |
Return the class name as a string. More... | |
virtual vtkTypeBool | IsA (const char *name) |
Return 1 if this class is the same type of (or a subclass of) the named class. 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 | 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... | |
virtual void | PrintHeader (ostream &os, vtkIndent indent) |
Methods invoked by print to print information about the object including superclasses. More... | |
virtual void | PrintTrailer (ostream &os, vtkIndent indent) |
Methods invoked by print to print information about the object including superclasses. More... | |
Static Public Member Functions | |
static vtkTypeBool | IsTypeOf (const char *type) |
static vtkBlueObeliskData * | SafeDownCast (vtkObjectBase *o) |
static vtkBlueObeliskData * | New () |
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... | |
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static vtkObject * | New () |
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 () |
This is a global flag that controls whether any debug, warning or error messages are displayed. More... | |
static void | GlobalWarningDisplayOff () |
This is a global flag that controls whether any debug, warning or error messages are displayed. More... | |
static int | GetGlobalWarningDisplay () |
This is a global flag that controls whether any debug, warning or error messages are displayed. More... | |
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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 vtkObjectBase * | New () |
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 vtkObjectBase * | NewInstanceInternal () 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) |
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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 () |
These methods allow a command to exclusively grab all events. More... | |
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vtkObjectBase () | |
virtual | ~vtkObjectBase () |
virtual void | RegisterInternal (vtkObjectBase *, vtkTypeBool check) |
virtual void | UnRegisterInternal (vtkObjectBase *, vtkTypeBool check) |
virtual void | ReportReferences (vtkGarbageCollector *) |
vtkObjectBase (const vtkObjectBase &) | |
void | operator= (const vtkObjectBase &) |
Friends | |
class | vtkBlueObeliskDataParser |
Additional Inherited Members | |
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static vtkMallocingFunction | GetCurrentMallocFunction () |
static vtkReallocingFunction | GetCurrentReallocFunction () |
static vtkFreeingFunction | GetCurrentFreeFunction () |
static vtkFreeingFunction | GetAlternateFreeFunction () |
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 59 of file vtkBlueObeliskData.h.
Definition at line 62 of file vtkBlueObeliskData.h.
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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.
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vtkBlueObeliskData * vtkBlueObeliskData::NewInstance | ( | ) | const |
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void vtkBlueObeliskData::Initialize | ( | ) |
Fill this object using an internal vtkBlueObeliskDataParser instance.
Wrap this call with calls to LockWriteMutex and UnlockWriteMutex 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 76 of file vtkBlueObeliskData.h.
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Access the mutex that protects the arrays during a call to Initialize()
void vtkBlueObeliskData::LockWriteMutex | ( | ) |
Lock the mutex that protects the arrays during a call to Initialize().
void vtkBlueObeliskData::UnlockWriteMutex | ( | ) |
Unlock 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 | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | LowerSymbols | , |
vtkStringArray | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | Names | , |
vtkStringArray | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | LowerNames | , |
vtkStringArray | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | PeriodicTableBlocks | , |
vtkStringArray | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | ElectronicConfigurations | , |
vtkStringArray | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | Families | , |
vtkStringArray | |||
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Access the raw arrays stored in this vtkBlueObeliskData.
vtkBlueObeliskData::vtkGetNewMacro | ( | Masses | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | ExactMasses | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | IonizationEnergies | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | ElectronAffinities | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | PaulingElectronegativities | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | CovalentRadii | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | VDWRadii | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | DefaultColors | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | BoilingPoints | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | MeltingPoints | , |
vtkFloatArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | Periods | , |
vtkUnsignedShortArray | |||
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vtkBlueObeliskData::vtkGetNewMacro | ( | Groups | , |
vtkUnsignedShortArray | |||
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Static method to generate the data header file used by this class from the BODR elements.xml.
See the GenerateBlueObeliskHeader test in this module.
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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 147 of file vtkBlueObeliskData.h.
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Definition at line 153 of file vtkBlueObeliskData.h.
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Definition at line 161 of file vtkBlueObeliskData.h.
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Definition at line 179 of file vtkBlueObeliskData.h.
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Definition at line 182 of file vtkBlueObeliskData.h.
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Definition at line 185 of file vtkBlueObeliskData.h.
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Definition at line 186 of file vtkBlueObeliskData.h.
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Definition at line 189 of file vtkBlueObeliskData.h.
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Definition at line 190 of file vtkBlueObeliskData.h.
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Definition at line 193 of file vtkBlueObeliskData.h.
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Definition at line 194 of file vtkBlueObeliskData.h.
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Definition at line 195 of file vtkBlueObeliskData.h.
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Definition at line 198 of file vtkBlueObeliskData.h.
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Definition at line 199 of file vtkBlueObeliskData.h.
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Definition at line 200 of file vtkBlueObeliskData.h.
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Definition at line 201 of file vtkBlueObeliskData.h.
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Definition at line 202 of file vtkBlueObeliskData.h.
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Definition at line 203 of file vtkBlueObeliskData.h.
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Definition at line 204 of file vtkBlueObeliskData.h.
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Definition at line 205 of file vtkBlueObeliskData.h.
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Definition at line 206 of file vtkBlueObeliskData.h.
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Definition at line 207 of file vtkBlueObeliskData.h.
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Definition at line 208 of file vtkBlueObeliskData.h.
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Definition at line 209 of file vtkBlueObeliskData.h.