OEShapeOverlapDisplayOptions

class OEShapeOverlapDisplayOptions : public OEDepict::OE2DMolDisplayOptions

This class represents OEShapeOverlapDisplayOptions that encapsulates properties that determine how the color atom overlap between the reference and the fit molecule is depicted by the OERenderShapeOverlap function.

See also

• OEShapeOverlapDisplay class

• OERenderShapeOverlap function

Code Example

• Visualizing Shape and Color Overlap OpenEye Python Cookbook recipe

The following methods are publicly inherited from OE2DMolDisplayOptions:

operator=	GetHydrogenStyle	SetBondLineAtomLabelGapScale
GetAromaticStyle	GetMargin	SetBondLineGapScale
GetAtomColor	GetScale	SetBondPropLabelFont
GetAtomColorStyle	GetSuperAtomLabelFont	SetBondPropLabelFontScale
GetAtomLabelFont	GetSuperAtomStyle	SetBondPropertyFunctor
GetAtomLabelFontScale	GetTitleFont	SetBondStereoStyle
GetAtomPropLabelFont	GetTitleFontScale	SetBondWidthScaling
GetAtomPropLabelFontScale	GetTitleHeight	SetDefaultBondPen
GetAtomPropertyFunctor	GetTitleLocation	SetDimensions
GetAtomStereoStyle	GetWidth	SetHeight
GetBackgroundColor	SetAromaticStyle	SetHydrogenStyle
GetBondColorStyle	SetAtomColor	SetMargin
GetBondLineAtomLabelGapScale	SetAtomColorStyle	SetMargins
GetBondLineGapScale	SetAtomLabelFont	SetScale
GetBondPropLabelFont	SetAtomLabelFontScale	SetSuperAtomLabelFont
GetBondPropLabelFontScale	SetAtomPropLabelFont	SetSuperAtomStyle
GetBondPropertyFunctor	SetAtomPropLabelFontScale	SetTitleFont
GetBondStereoStyle	SetAtomPropertyFunctor	SetTitleFontScale
GetBondWidthScaling	SetAtomStereoStyle	SetTitleHeight
GetDefaultBondPen	SetBackgroundColor	SetTitleLocation
GetHeight	SetBondColorStyle	SetWidth

Constructors

OEShapeOverlapDisplayOptions()

Default constructor.

OEShapeOverlapDisplayOptions(const OEShapeOverlapDisplayOptions &rhs)

Copy constructors.

operator=

OEShapeOverlapDisplayOptions &operator=(const OEShapeOverlapDisplayOptions &rhs)

Assignment operator.

ClearQuerySurfaceArcFxn

void ClearQuerySurfaceArcFxn()

Removes the surface drawing functor that is drawn to represent the 2D molecule surface of the reference molecule around the fit molecule.

See also

• OEShapeOverlapDisplayOptions::GetQuerySurfaceArcFxn method

• OEShapeOverlapDisplayOptions::SetQuerySurfaceArcFxn method

GetClearBackground

bool GetClearBackground() const

Returns whether or not the image is cleared (by calling OEImageBase::Clear method) prior to the rendering of the shape overlap.

See also

• OEShapeOverlapDisplayOptions::SetClearBackground method

GetOverlapColor

const OESystem::OEColor &GetOverlapColor() const

Returns the color of the property map that is used to visualize shape overlap between the reference and the fit molecule.

See also

• OEShapeOverlapDisplayOptions::SetOverlapColor method

GetOverlapDisplayStyle

unsigned int GetOverlapDisplayStyle() const

Returns the style that defines how shape overlay is depicted by the OERenderShapeOverlap function. The return value is taken from the OEShapeOverlapDisplayStyle namespace.

See also

• OEShapeOverlapDisplayOptions::SetOverlapDisplayStyle method

• OEShapeOverlapDisplayStyle namespace

GetQuerySurfaceArcFxn

const OESurfaceArcFxnBase *GetQuerySurfaceArcFxn() const

Returns the surface drawing functor that is drawn to represent the 2D molecule surface of the reference molecule around the fit molecule.

See also

• OEShapeOverlapDisplayOptions::ClearQuerySurfaceArcFxn method

• OEShapeOverlapDisplayOptions::SetQuerySurfaceArcFxn method

SetClearBackground

void SetClearBackground(bool clear)

Sets whether or not the image is cleared (by calling OEImageBase::Clear method) prior to the rendering of the shape overlap.

See also

• OEShapeOverlapDisplayOptions::GetClearBackground method

SetOverlapColor

void SetOverlapColor(const OESystem::OEColor &color)

Sets the color of the property map that is used to visualize shape overlap between the reference and the fit molecule.

See also

• OEShapeOverlapDisplayOptions::GetOverlapColor method

SetOverlapDisplayStyle

void SetOverlapDisplayStyle(unsigned int style)

Sets the style that defines how shape overlay is depicted by the OERenderShapeOverlap function.

style

This value has to be from the OEShapeOverlapDisplayStyle namespace.

See also

• OEShapeOverlapDisplayOptions::GetOverlapDisplayStyle method

• OEShapeOverlapDisplayStyle namespace

SetQuerySurfaceArcFxn

void SetQuerySurfaceArcFxn(const OESurfaceArcFxnBase &arcfxn)

Sets the surface drawing functor that is drawn to represent the 2D molecule surface of the reference molecule around the fit molecule when calling the OERenderShapeOverlap function to depict the shape overlap.

See also

• OEShapeOverlapDisplayOptions::ClearQuerySurfaceArcFxn method

• OEShapeOverlapDisplayOptions::GetQuerySurfaceArcFxn method