OERenderShapeQuery

void OERenderShapeQuery(OEDepict::OEImageBase &image,
                        const OEShapeQueryDisplay &disp)

Renders the reference molecule of the shape overlap.

image

The image on which the reference molecule is rendered.

disp

The OEShapeQueryDisplay object that holds the data necessary to depict the reference molecule of a shape overlap.

The following code snippet shows how to use the OERenderShapeQuery function. The image created is shown in Figure: Example of using the OERenderShapeQuery function.

opts = oegrapheme.OEShapeQueryDisplayOptions()
opts.SetTitleLocation(oedepict.OETitleLocation_Hidden)
arcpen = oedepict.OEPen(oechem.OEWhite, oechem.OELightGrey, oedepict.OEFill_On, 2.0)
opts.SetSurfaceArcFxn(oegrapheme.OEDefaultArcFxn(arcpen))

cff = oeshape.OEColorForceField()
cff.Init(oeshape.OEColorFFType_ImplicitMillsDean)
disp = oegrapheme.OEShapeQueryDisplay(refmol, cff, opts)

image = oedepict.OEImage(420.0, 280.0)
oegrapheme.OERenderShapeQuery(image, disp)

Example of using the OERenderShapeQuery function

See also

• OEShapeQueryDisplayOptions class

• OERenderColorOverlap function

• OERenderShapeOverlap function

Code Example

• Depicting Shape and Color Atom Overlaps example

• Visualizing Shape and Color Overlap OpenEye Python Cookbook recipe