OENbrs

struct OENbrs

This class represents OENbrs that stores an atom pair and the distance between them.

See also

• OEGetNearestNbrs function

• OENearestNbrs class

Constructors

OENbrs(b: OEAtomBase, e: OEAtomBase, d: float) -> OENbrs

Creates an OENbrs object.

GetBgn

GetBgn() -> OEAtomBase

Returns the ‘bgn’ atom.

GetDist2

GetDist2() -> float

Returns the square of the distance between the ‘bgn’ and ‘end’ atoms.

GetDist

GetDist() -> float

Returns the distance between the ‘bgn’ and ‘end’ atoms.

GetEnd

GetEnd() -> OEAtomBase

Returns the ‘end’ atom.