Read a OpenQube readable file and output a vtkMolecule object.
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#include <vtkOpenQubeMoleculeSource.h>
Inherits vtkDataReader.
Read a OpenQube readable file and output a vtkMolecule object.
- Tests:
- vtkOpenQubeMoleculeSource (Tests)
Definition at line 39 of file vtkOpenQubeMoleculeSource.h.
vtkOpenQubeMoleculeSource::vtkOpenQubeMoleculeSource |
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vtkOpenQubeMoleculeSource::~vtkOpenQubeMoleculeSource |
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static int vtkOpenQubeMoleculeSource::IsTypeOf |
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const char * |
type | ) |
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virtual int vtkOpenQubeMoleculeSource::IsA |
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const char * |
type | ) |
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virtual vtkObjectBase* vtkOpenQubeMoleculeSource::NewInstanceInternal |
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void vtkOpenQubeMoleculeSource::PrintSelf |
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ostream & |
os, |
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vtkIndent |
indent |
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vtkMolecule* vtkOpenQubeMoleculeSource::GetOutput |
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Get/Set the output (vtkMolecule) that the reader will fill
void vtkOpenQubeMoleculeSource::SetOutput |
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vtkMolecule * |
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Get/Set the output (vtkMolecule) that the reader will fill
virtual void vtkOpenQubeMoleculeSource::SetFileName |
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const char * |
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Get/Set the name of the OpenQube readable file.
- Note
- : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.
virtual char* vtkOpenQubeMoleculeSource::GetFileName |
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Get/Set the name of the OpenQube readable file.
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- : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.
virtual void vtkOpenQubeMoleculeSource::SetBasisSet |
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OpenQube::BasisSet * |
b | ) |
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Get/Set the OpenQube BasisSet object to read from.
- Note
- : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.
virtual OpenQube::BasisSet* vtkOpenQubeMoleculeSource::GetBasisSet |
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Get/Set the OpenQube BasisSet object to read from.
- Note
- : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.
virtual void vtkOpenQubeMoleculeSource::SetCleanUpBasisSet |
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bool |
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Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.
virtual bool vtkOpenQubeMoleculeSource::GetCleanUpBasisSet |
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Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.
virtual void vtkOpenQubeMoleculeSource::CleanUpBasisSetOn |
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Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.
virtual void vtkOpenQubeMoleculeSource::CleanUpBasisSetOff |
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Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.
int vtkOpenQubeMoleculeSource::RequestData |
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vtkInformation * |
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vtkInformationVector ** |
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vtkInformationVector * |
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int vtkOpenQubeMoleculeSource::FillOutputPortInformation |
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int |
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vtkInformation * |
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void vtkOpenQubeMoleculeSource::CopyOQMoleculeToVtkMolecule |
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const OpenQube::Molecule * |
oqmol, |
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vtkMolecule * |
mol |
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Copy the OpenQube::Molecule object oqmol into the provided vtkMolecule object mol.
char* vtkOpenQubeMoleculeSource::FileName |
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OpenQube::BasisSet* vtkOpenQubeMoleculeSource::BasisSet |
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bool vtkOpenQubeMoleculeSource::CleanUpBasisSet |
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The documentation for this class was generated from the following file: