Provides access to and storage of user-generated vtkImageData that describes electrons.
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#include <vtkProgrammableElectronicData.h>
Inherits vtkAbstractElectronicData.
Provides access to and storage of user-generated vtkImageData that describes electrons.
- Tests:
- vtkProgrammableElectronicData (Tests)
Definition at line 33 of file vtkProgrammableElectronicData.h.
vtkProgrammableElectronicData::vtkProgrammableElectronicData |
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vtkProgrammableElectronicData::~vtkProgrammableElectronicData |
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static int vtkProgrammableElectronicData::IsTypeOf |
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const char * |
type | ) |
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static |
virtual int vtkProgrammableElectronicData::IsA |
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const char * |
type | ) |
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virtual vtkObjectBase* vtkProgrammableElectronicData::NewInstanceInternal |
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const |
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void vtkProgrammableElectronicData::PrintSelf |
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ostream & |
os, |
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vtkIndent |
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virtual vtkIdType vtkProgrammableElectronicData::GetNumberOfMOs |
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Get/Set the number of molecular orbitals. Setting this will resize this internal array of MOs.
virtual void vtkProgrammableElectronicData::SetNumberOfMOs |
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vtkIdType |
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Get/Set the number of molecular orbitals. Setting this will resize this internal array of MOs.
virtual vtkIdType vtkProgrammableElectronicData::GetNumberOfElectrons |
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Get/Set the number of electrons in the molecule. Needed for HOMO/LUMO convenience functions
virtual void vtkProgrammableElectronicData::SetNumberOfElectrons |
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vtkIdType |
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virtual |
Get/Set the number of electrons in the molecule. Needed for HOMO/LUMO convenience functions
virtual vtkImageData* vtkProgrammableElectronicData::GetMO |
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vtkIdType |
orbitalNumber | ) |
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virtual |
Get/Set the vtkImageData for the requested molecular orbital.
void vtkProgrammableElectronicData::SetMO |
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vtkIdType |
orbitalNumber, |
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vtkImageData * |
data |
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Get/Set the vtkImageData for the requested molecular orbital.
virtual vtkImageData* vtkProgrammableElectronicData::GetElectronDensity |
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Get/Set the vtkImageData for the molecule's electron density.
virtual void vtkProgrammableElectronicData::SetElectronDensity |
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vtkImageData * |
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Get/Set the vtkImageData for the molecule's electron density.
virtual void vtkProgrammableElectronicData::SetPadding |
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double |
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Set/Get the padding around the molecule to which the cube extends. This is used to determine the dataset bounds.
virtual double vtkProgrammableElectronicData::GetPadding |
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Set/Get the padding around the molecule to which the cube extends. This is used to determine the dataset bounds.
virtual void vtkProgrammableElectronicData::DeepCopy |
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vtkDataObject * |
obj | ) |
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Deep copies the data object into this.
vtkIdType vtkProgrammableElectronicData::NumberOfElectrons |
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StdVectorOfImageDataPointers* vtkProgrammableElectronicData::MOs |
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vtkImageData* vtkProgrammableElectronicData::ElectronDensity |
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The documentation for this class was generated from the following file: