OEGet2DSurfaceArcs¶

OESystem::OEIterBase<OESurfaceArc> *
  OEGet2DSurfaceArcs(const OEDepict::OE2DMolDisplay &disp,
                     double radiusScale = OESurfaceArcScale::Default)

Returns an iterator over the OESurfaceArc objects from which a continuous 2D molecule surface can be drawn. See Figure: Example of the data stored in the OESurfaceArc class.

disp: The OE2DMolDisplay object for which the arcs of the 2D molecule surface are generated.
radiusScale: The multiplier used to modify the radius of the returned arcs. The scaling factor has to be in the range of [OESurfaceArcScale::Minimum, OESurfaceArcScale::Maximum].

Example of the data stored in the OESurfaceArc class¶

OESystem::OEIterBase<OESurfaceArc> *
  OEGet2DSurfaceArcs(const OEDepict::OE2DMolDisplay &mdisp,
                     const OEDepict::OE2DAtomDisplay &adisp,
                     double radiusScale = OESurfaceArcScale::Default)

Returns an iterator over the OESurfaceArc object(s) generated for the given atom display. See Figure: Example of the arcs returned for an atom display with various radius scales.

mdisp: The OE2DMolDisplay object to which the OE2DAtomDisplay object belongs.
adisp: The OE2DAtomDisplay object for which the arc(s) of the 2D molecule surface are generated.
radiusScale: The multiplier used to modify the radius of the returned arcs. The scaling factor has to be in the range of [OESurfaceArcScale::Minimum, OESurfaceArcScale::Maximum].

OESystem::OEIterBase<OESurfaceArc> *
  OEGet2DSurfaceArcs(const OEDepict::OE2DMolDisplay &disp,
                     const std::vector<double> &radiusScales)

Returns an iterator over the OESurfaceArc objects from which a continuous 2D molecule surface can be drawn.

disp: The OE2DMolDisplay object for which the arcs of the 2D molecule surface are generated.
radiusScales: The multipliers used to modify the radius of the returned arcs. The vector has to be OEMolBase::GetMaxAtomIdx long. Each scaling factor has to be in the range of [OESurfaceArcScale::Minimum, OESurfaceArcScale::Maximum].