OENearestAtom¶

class OENearestAtom

The OENearestAtom class that is used by OEGetNearestAtom and OEGetNearbyAtom functions. It stores an atom pointer, an associated distance and the display position of the atom.

Constructors¶

OENearestAtom(const OEChem::OEAtomBase *atom, double distance)
OENearestAtom(const OEChem::OEAtomBase *atom, double distance,
              const OE2DPoint &displaypos)

Constructors.

If no display position is given then it will be initialized to OE2DPoint(0.0, 0.0).

GetAtom¶

const OEChem::OEAtomBase *GetAtom() const

Returns the atom pointer stored in the OENearestAtom object.

GetDisplayPosition¶

const OE2DPoint&  GetDisplayPosition() const;

Returns the display position of the nearest atom.

GetDist¶

double GetDist() const

Returns the distance associated with the atom.

IsValid¶

bool IsValid() const

Returns whether the OENearestAtom object is initialized correctly.