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 theOE2DAtomDisplay
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
classesOESurfaceArcScale
namespace