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Create a simple guess of a molecule's topology. More...
#include <vtkSimpleBondPerceiver.h>
Public Types | |
typedef vtkMoleculeAlgorithm | Superclass |
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typedef vtkAlgorithm | Superclass |
Public Member Functions | |
virtual int | IsA (const char *type) |
vtkSimpleBondPerceiver * | NewInstance () const |
void | PrintSelf (ostream &os, vtkIndent indent) |
virtual void | SetTolerance (float) |
virtual float | GetTolerance () |
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vtkMoleculeAlgorithm * | NewInstance () const |
void | PrintSelf (ostream &os, vtkIndent indent) |
vtkDataObject * | GetInput () |
vtkDataObject * | GetInput (int port) |
vtkMolecule * | GetMoleculeInput (int port) |
vtkMolecule * | GetOutput () |
vtkMolecule * | GetOutput (int) |
virtual void | SetOutput (vtkMolecule *d) |
virtual int | ProcessRequest (vtkInformation *, vtkInformationVector **, vtkInformationVector *) |
void | SetInputData (vtkDataObject *) |
void | SetInputData (int, vtkDataObject *) |
void | AddInputData (vtkDataObject *) |
void | AddInputData (int, vtkDataObject *) |
Static Public Member Functions | |
static vtkSimpleBondPerceiver * | New () |
static int | IsTypeOf (const char *type) |
static vtkSimpleBondPerceiver * | SafeDownCast (vtkObjectBase *o) |
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static vtkMoleculeAlgorithm * | New () |
static int | IsTypeOf (const char *type) |
static vtkMoleculeAlgorithm * | SafeDownCast (vtkObjectBase *o) |
Protected Member Functions | |
virtual vtkObjectBase * | NewInstanceInternal () const |
vtkSimpleBondPerceiver () | |
~vtkSimpleBondPerceiver () | |
virtual int | RequestData (vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector) |
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vtkMoleculeAlgorithm () | |
~vtkMoleculeAlgorithm () | |
virtual int | RequestInformation (vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector) |
virtual int | FillOutputPortInformation (int port, vtkInformation *info) |
virtual int | FillInputPortInformation (int port, vtkInformation *info) |
virtual int | RequestUpdateExtent (vtkInformation *, vtkInformationVector **, vtkInformationVector *) |
Protected Attributes | |
float | Tolerance |
Create a simple guess of a molecule's topology.
vtkSimpleBondPerceiver performs a simple check of all interatomic distances and adds a single bond between atoms that are reasonably close. If the interatomic distance is less than the sum of the two atom's covalent radii plus a tolerance, a single bond is added.
Definition at line 45 of file vtkSimpleBondPerceiver.h.
Definition at line 50 of file vtkSimpleBondPerceiver.h.
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Reimplemented from vtkMoleculeAlgorithm.
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Reimplemented from vtkMoleculeAlgorithm.
vtkSimpleBondPerceiver* vtkSimpleBondPerceiver::NewInstance | ( | ) | const |
void vtkSimpleBondPerceiver::PrintSelf | ( | ostream & | os, |
vtkIndent | indent | ||
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Set/Get the tolerance used in the comparisons. (Default: 0.45)
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Set/Get the tolerance used in the comparisons. (Default: 0.45)
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This is called by the superclass. This is the method you should override.
Reimplemented from vtkMoleculeAlgorithm.
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Definition at line 71 of file vtkSimpleBondPerceiver.h.