RingPerceiver Class Reference

Public Member Functions
	RingPerceiver (const Molecule *m=nullptr)
void	setMolecule (const Molecule *m)
const Molecule *	molecule () const
std::vector< std::vector< size_t > > &	rings ()

Member Function Documentation

rings()

std::vector< std::vector< size_t > > & rings

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The smallest set of smallest rings, each as a list of atom indices in the order they are traversed. A ring is not defined below three atoms, so every entry holds at least three and the bond closing it joins the last atom back to the first.

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The documentation for this class was generated from the following file:

• ringperceiver.h