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

Note

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

See also

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.

GetBallRadiusScale

double GetBallRadiusScale() const

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

GetStickWidthScale

double GetStickWidthScale() const

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

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)

OEHighlightOverlayByBallAndStick highlight =
  new OEHighlightOverlayByBallAndStick(oechem.OEGetVividColors());
highlight.SetAtomLabelMonochrome(false);
depictWithHighlight(smiles, ss, highlight, "OEHighlightOverlayByBallAndStick_SetAtomLabelMonochrome");
../../_images/OEHighlightOverlayByBallAndStick_SetAtomLabelMonochrome.png

Example of using the SetAtomLabelMonochrome 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)

OEHighlightOverlayByBallAndStick highlight =
  new OEHighlightOverlayByBallAndStick(oechem.OEGetVividColors());
highlight.SetBallRadiusScale(4.0);
depictWithHighlight(smiles, ss, highlight, "OEHighlightOverlayByBallAndStick_SetBallRadiusScale");
../../_images/OEHighlightOverlayByBallAndStick_SetBallRadiusScale.png

Example of using the SetBallRadiusScale 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)

OEHighlightOverlayByBallAndStick highlight =
  new OEHighlightOverlayByBallAndStick(oechem.OEGetVividColors());
highlight.SetStickWidthScale(5.0);
depictWithHighlight(smiles, ss, highlight, "OEHighlightOverlayByBallAndStick_SetStickWidthScale");
../../_images/OEHighlightOverlayByBallAndStick_SetStickWidthScale.png

Example of using the SetStickWidthScale method