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VTK
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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... | |
| 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... | |
Public Member Functions inherited from vtkObject | |
| 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 | 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... | |
Public Member Functions inherited from vtkObjectBase | |
| const char * | GetClassName () const |
| Return the class name as a string. 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... | |
| void | PrintRevisions (ostream &) |
| Legacy. 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... | |
Static Public Member Functions inherited from vtkObject | |
| 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... | |
Static Public Member Functions inherited from vtkObjectBase | |
| 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 vtkObjectBase * | New () |
| Create an object with Debug turned off, modified time initialized to zero, and reference counting on. 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) |
Protected Member Functions inherited from vtkObject | |
| 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... | |
Protected Member Functions inherited from vtkObjectBase | |
| vtkObjectBase () | |
| virtual | ~vtkObjectBase () |
| virtual void | CollectRevisions (ostream &) |
| virtual void | ReportReferences (vtkGarbageCollector *) |
| vtkObjectBase (const vtkObjectBase &) | |
| void | operator= (const vtkObjectBase &) |
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 55 of file vtkBlueObeliskData.h.
Definition at line 58 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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protectedvirtual |
| vtkBlueObeliskData* vtkBlueObeliskData::NewInstance | ( | ) | const |
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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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inline |
Check if this object has been initialized yet.
Definition at line 73 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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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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protectedvirtual |
Free any unused memory in the member arrays.
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Definition at line 125 of file vtkBlueObeliskData.h.
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Definition at line 130 of file vtkBlueObeliskData.h.
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Definition at line 131 of file vtkBlueObeliskData.h.
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Definition at line 149 of file vtkBlueObeliskData.h.
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Definition at line 152 of file vtkBlueObeliskData.h.
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Definition at line 155 of file vtkBlueObeliskData.h.
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Definition at line 156 of file vtkBlueObeliskData.h.
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Definition at line 159 of file vtkBlueObeliskData.h.
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Definition at line 160 of file vtkBlueObeliskData.h.
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Definition at line 163 of file vtkBlueObeliskData.h.
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Definition at line 164 of file vtkBlueObeliskData.h.
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Definition at line 165 of file vtkBlueObeliskData.h.
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Definition at line 168 of file vtkBlueObeliskData.h.
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Definition at line 169 of file vtkBlueObeliskData.h.
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Definition at line 170 of file vtkBlueObeliskData.h.
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Definition at line 171 of file vtkBlueObeliskData.h.
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Definition at line 172 of file vtkBlueObeliskData.h.
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Definition at line 173 of file vtkBlueObeliskData.h.
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Definition at line 174 of file vtkBlueObeliskData.h.
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Definition at line 175 of file vtkBlueObeliskData.h.
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Definition at line 176 of file vtkBlueObeliskData.h.
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Definition at line 177 of file vtkBlueObeliskData.h.
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Definition at line 178 of file vtkBlueObeliskData.h.
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Definition at line 179 of file vtkBlueObeliskData.h.
1.8.15