OEGet2DSurfaceArcsΒΆ

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].
../../_images/OESurfaceArc.png

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].

See also