rcdk: get.element.types – R documentation

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get.element.types

Obtain the type of stereo element support for atom.

Supported elements types are

Bicoordinate: an central atom involved in a cumulated system (not yet supported)
Tricoordinate: an atom at one end of a geometric (double-bond) stereo bond or cumulated system
Tetracoordinate: a tetrahedral atom (could also be square planar in future)
None: the atom is not a (supported) stereo element type

get.element.types(mol)

mol

A jObjRef representing an IAtomContainer

A factor of length equal in length to the number of atoms, indicating the element type