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(const OEAtomBase *bgn, const OEAtomBase *end, double dist2)

Creates an OENbrs object.

GetBgn

const OEAtomBase *GetBgn() const

Returns the ‘bgn’ atom.

GetDist2

double GetDist2() const

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

GetDist

double GetDist() const

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

GetEnd

const OEAtomBase *GetEnd() const

Returns the ‘end’ atom.