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37 #ifndef vtkSimpleBondPerceiver_h
38 #define vtkSimpleBondPerceiver_h
40 #include "vtkDomainsChemistryModule.h"
59 vtkSetMacro(Tolerance,
float);
60 vtkGetMacro(Tolerance,
float);
68 vtkGetMacro(IsToleranceAbsolute,
bool);
69 vtkSetMacro(IsToleranceAbsolute,
bool);
Superclass for algorithms that operate on vtkMolecules.
~vtkSimpleBondPerceiver() override
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
double GetCovalentRadiusWithTolerance(vtkPeriodicTable *table, vtkIdType atomicNumber)
Get the covalent radius corresponding to atomic number, modulated by Tolerance.
Create a simple guess of a molecule's topology.
a simple class to control print indentation
static vtkSimpleBondPerceiver * New()
class describing a molecule
Access to information about the elements.
abstract class to specify dataset behavior
virtual void ComputeBonds(vtkMolecule *molecule)
Compute the bonds of input molecule.
int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector) override
This is called by the superclass.