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