OEAddLabel¶

Adds label to an image or molecule display.

**The overloaded versions of the OEAddLabel function**¶
Link	Description
OEAddLabel(image, position, label)	adding label to an image
OEAddLabel(disp, label, match)	adding label to atoms of a match
OEAddLabel(disp, label, abset)	adding label to set of atoms
OEAddLabel(disp, label, atompred)	adding label to atoms specified by a predicate

Note

When adding label associated with atoms it is recommended to use the OEAddLabel along with the OEAddHighlighting function for visual clarity.

void OEAddLabel(OEImageBase& image, const OE2DPoint& center,
                const OEHighlightLabel& label)

image: The image in which the label is drawn.
center: The center of the label on the image.
label: The OEHighlightLabel object that stores properties that determine the styles of the label along with the text of the label itself.

Example:

def OEAddLabel_OEImage(image):

    label = oedepict.OEHighlightLabel("Hello!")
    oedepict.OEAddLabel(image, oedepict.OE2DPoint(50, 50), label)

    label.SetBoundingBoxPen(oedepict.OETransparentPen)
    oedepict.OEAddLabel(image, oedepict.OE2DPoint(100, 50), label)

    label.SetBoundingBoxPen(oedepict.OELightGreyPen)
    oedepict.OEAddLabel(image, oedepict.OE2DPoint(150, 50), label)

../../_images/OEAddLabel-OEImageBase.png

Example of adding labels to an image¶

void OEAddLabel(OE2DMolDisplay &disp,
                const OEHighlightLabel &label,
                const OEChem::OEMatchBase &match)

Adds label to atoms of an OEMatchBase object that can be initialized by substructure search or maximum common substructure search.

disp: The OE2DMolDisplay object on which the label is going to be positioned.
label: The OEHighlightLabel object that stores properties that determine the styles of the label along with the text of the label itself.
match: The label is positioned based on the target atoms of the OEMatchBase object.

Example:

def OEAddLabel_OEMatch(disp):
    subs = oechem.OESubSearch("a1aaaaa1")
    unique = True
    highlightstyle = oedepict.OEHighlightByBallAndStick(oechem.OELightGreen)
    for match in subs.Match(disp.GetMolecule(), unique):
        oedepict.OEAddHighlighting(disp, highlightstyle, match)
        label = oedepict.OEHighlightLabel("aromatic", oechem.OELightGreen)
        oedepict.OEAddLabel(disp, label, match)

Example of adding label to 6-membered aromatic ring¶

void OEAddLabel(OE2DMolDisplay &disp,
                const OEHighlightLabel &label,
                const OEChem::OEAtomBondSet &abset)

Adds label to atoms stored in the OEAtomBondSet object.

disp: The OE2DMolDisplay object on which the label is going to be positioned.
label: The OEHighlightLabel object that stores properties that determine the styles of the label along with the text of the label itself.
abset: The label is positioned based on the atoms stored in the OEAtomBondSet object.

Example:

def OEAddLabel_OEAtomBondSet(disp):
    mol = disp.GetMolecule()

    ringset = oechem.OEAtomBondSet(mol.GetAtoms(oechem.OEAtomIsInRing()),
                                   mol.GetBonds(oechem.OEBondIsInRing()))
    ringhighlight = oedepict.OEHighlightByBallAndStick(oechem.OELightGreen)
    oedepict.OEAddHighlighting(disp, ringhighlight, ringset)
    ringlabel = oedepict.OEHighlightLabel("ring", oechem.OELightGreen)
    oedepict.OEAddLabel(disp, ringlabel, ringset)

    chainset = oechem.OEAtomBondSet(mol.GetAtoms(oechem.OEAtomIsInChain()),
                                    mol.GetBonds(oechem.OEBondIsInChain()))
    chainhighlight = oedepict.OEHighlightByBallAndStick(oechem.OEBlueTint)
    oedepict.OEAddHighlighting(disp, chainhighlight, chainset)
    chainlabel = oedepict.OEHighlightLabel("chain", oechem.OEBlueTint)
    oedepict.OEAddLabel(disp, chainlabel, chainset)

../../_images/OEAddLabel-OEAtomBondSet.png

Example of adding label to ring and chain components of a molecule¶

void OEAddLabel(OE2DMolDisplay &disp,
                const OEHighlightLabel &label,
                const OESystem::OEUnaryPredicate<OEChem::OEAtomBase> &atompred)

Adds label to atoms for which the given atom predicate returns true.

disp: The OE2DMolDisplay object on which the label is going to be positioned.
label: The OEHighlightLabel object that stores properties that determine the styles of the label along with the text of the label itself.
atompred: The label is positioned based on the atoms for which the given atom predicate returns true.

Example:

def OEAddLabel_Predicate(disp):
    ringhighlight = oedepict.OEHighlightByBallAndStick(oechem.OELightGreen)
    oedepict.OEAddHighlighting(disp, ringhighlight,
                               oechem.OEAtomIsInRing(), oechem.OEBondIsInRing())
    ringlabel = oedepict.OEHighlightLabel("ring", oechem.OELightGreen)
    oedepict.OEAddLabel(disp, ringlabel, oechem.OEAtomIsInRing())

    chainhighlight = oedepict.OEHighlightByBallAndStick(oechem.OEBlueTint)
    oedepict.OEAddHighlighting(disp, chainhighlight,
                               oechem.OEAtomIsInChain(), oechem.OEBondIsInChain())
    chainlabel = oedepict.OEHighlightLabel("chain", oechem.OEBlueTint)
    oedepict.OEAddLabel(disp, chainlabel, oechem.OEAtomIsInChain())

Example of adding label to ring and chain components of a molecule¶