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].

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
- Drawing a Molecule Surface chapter
- OESurfaceArc classes
- OESurfaceArcScale namespace