OEHighlightOverlayByBallAndStick¶

class  OEHighlightOverlayByBallAndStick : public OEHighlightOverlayBase

The OEHighlightOverlayByBallAndStick class allows the customization of the ball and stick highlighting style that is associated with the OEHighlightOverlayStyle_BallAndStick constant. This style enables the highlighting of overlapping patterns. See example in Figure: Example of overlay highlighting using the ‘ball and stick’ style.

../../_images/OEHighlightOverlayStyle_BallAndStick.png

Example of overlay highlighting using the ‘ball and stick’ style¶

See also

OEAddHighlightOverlay function.
OEHighlightOverlayStyle namespace
Highlighting Overlapped Patterns section

Note

It is recommended to select colors with high contrast when highlighting overlapped patterns with the OEHighlightOverlayByBallAndStick class.

See also

OEGetContrastColors function

The following methods are publicly inherited from OEHighlightOverlayBase:

GetColors

SetColors

Constructors¶

OEHighlightOverlayByBallAndStick(OESystem::OEIter<OESystem::OEColor> &colors,
                                 double stickWidthScale=3.0,
                                 double ballRadiusScale=3.0,
                                 bool monochrome=true)

OEHighlightOverlayByBallAndStick(OESystem::OEIterBase<OESystem::OEColor> *colors,
                                 double stickWidthScale=3.0,
                                 double ballRadiusScale=3.0,
                                 bool monochrome=true)

Creates an OEHighlightOverlayByBallAndStick object with the specified parameters

colors: The colors used for highlighting. See also OEHighlightOverlayBase.SetColors method.
stickWidthScale: The multiplier that can be used to increase or decrease the stick width of the highlighted bond(s). See also OEHighlightOverlayByBallAndStick.SetStickWidthScale method.
ballRadiusScale: The multiplier that can be used to increase or decrease the ball radius of the highlighted atoms(s). See also OEHighlightOverlayByBallAndStick.SetBallRadiusScale method.
monochrome: Defines whether or not to change the color of the atom label of the highlighted atom(s). See also OEHighlightOverlayByBallAndStick.SetAtomLabelMonochrome method.

OEHighlightOverlayByBallAndStick(const OEHighlightOverlayByBallAndStick &rhs)

Copy constructor.

operator=¶

OEHighlightOverlayByBallAndStick &
  operator=(const OEHighlightOverlayByBallAndStick &rhs)

Assignment operator.

GetAtomLabelMonochrome¶

bool GetAtomLabelMonochrome() const

Returns whether or not the color of the atom label of the highlighted atom(s) is changed.

See also

OEHighlightOverlayByBallAndStick.SetAtomLabelMonochrome method

GetBallRadiusScale¶

double GetBallRadiusScale() const

Returns the multiplier that can be used to increase or decrease the ball radius of the highlighted atoms(s).

See also

OEHighlightOverlayByBallAndStick.SetBallRadiusScale method

GetStickWidthScale¶

double GetStickWidthScale() const

Returns the multiplier that can be used to increase or decrease the stick width of the highlighted bond(s).

See also

OEHighlightOverlayByBallAndStick.SetStickWidthScale method

SetAtomLabelMonochrome¶

void SetAtomLabelMonochrome(bool monochrome)

Sets whether or not to change the color of the atom label of the highlighted atom(s).

Example (Figure: Example of using the SetAtomLabelMonochrome method)

highlight = oedepict.OEHighlightOverlayByBallAndStick(oechem.OEGetVividColors())
highlight.SetAtomLabelMonochrome(False)

../../_images/OEHighlightOverlayByBallAndStick_SetAtomLabelMonochrome.png

Example of using the SetAtomLabelMonochrome method¶

See also

OEHighlightOverlayByBallAndStick.GetAtomLabelMonochrome method

SetBallRadiusScale¶

void SetBallRadiusScale(double ballRadiusScale)

Sets the multiplier that can be used to increase or decrease the ball radius of the highlighted atoms(s).

Example (Figure: Example of using the SetBallRadiusScale method)

highlight = oedepict.OEHighlightOverlayByBallAndStick(oechem.OEGetVividColors())
highlight.SetBallRadiusScale(4.0)

../../_images/OEHighlightOverlayByBallAndStick_SetBallRadiusScale.png

Example of using the SetBallRadiusScale method¶

See also

OEHighlightOverlayByBallAndStick.GetBallRadiusScale method

SetStickWidthScale¶

void SetStickWidthScale(double stickWidthScale)

Sets the multiplier that can be used to increase or decrease the stick width of the highlighted bond(s).

Example (Figure: Example of using the SetStickWidthScale method)

highlight = oedepict.OEHighlightOverlayByBallAndStick(oechem.OEGetVividColors())
highlight.SetStickWidthScale(5.0)

../../_images/OEHighlightOverlayByBallAndStick_SetStickWidthScale.png

Example of using the SetStickWidthScale method¶

See also

OEHighlightOverlayByBallAndStick.GetStickWidthScale method