OEAddLabelΒΆ

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)
../../_images/OEAddLabel-OEMatch.png

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())
../../_images/OEAddLabel-Predicate.png

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