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.
See also
OEAddHighlightOverlay
function.OEHighlightOverlayStyle
namespaceHighlighting 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:
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
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
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
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");
See also
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");
See also
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");
See also