OEGetMoleculeSurfaceScaleΒΆ

double OEGetMoleculeSurfaceScale(const OEChem::OEMolBase &mol,
                                 const OEDepict::OE2DMolDisplayOptions &opts,
                                 double maxRadiusScale = OESurfaceArcScale::Default)

Estimates the scaling factor of the molecule depiction considering the size of the molecule surface being drawn around the molecule diagram. See Figure: Example of using the OEGetMoleculeSurfaceScale function.

mol
The molecule for which the scaling factor is determined.
opts
The OE2DMolDisplayOptions object that stores the parameters which influence the calculated scaling factor (such as the width and the height of the image).
maxRadiusScale
The maximum radius multiplier used to generate the arcs of the 2D molecule surface.
../../_images/OEGetMoleculeSurfaceScale.png

Example of using the OEGetMoleculeSurfaceScale function

See also