OEGetMoleculeSurfaceScale¶

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¶