Angle Struct Reference

Stores one valence angle as three atom indices. More...

#include <CharmmPSF.h>

Public Attributes
int	iatom
	Stores the zero-based indices in iatom, jatom, katom order.

Detailed Description

Stores one valence angle as three atom indices.

PSF parsing converts all atom numbers from the file's one-based convention to zero-based indices into the per-atom arrays owned by CharmmPSF. jatom is the central atom.

Note

Direct aggregate construction and mutation perform no validation.