OE2DActiveSiteDisplayOptions

class OE2DActiveSiteDisplayOptions: public OEDepict::OE2DMolDisplayOptions

This class represents the OE2DActiveSiteDisplayOptions class that encapsulates properties that determine how an active site is depicted.

The following methods are publicly inherited from OE2DMolDisplayOptions:

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

Constructors

OE2DActiveSiteDisplayOptions(double width, double height)

Creates an OE2DActiveSiteDisplayOptions object with the specified dimension.

width, height
The width and height of the active site display both have to be a positive (non-zero) number.
OE2DActiveSiteDisplayOptions(const OE2DActiveSiteDisplayOptions &rhs)

Copy constructor.

operator=

OE2DActiveSiteDisplayOptions &operator=(const OE2DActiveSiteDisplayOptions &rhs)

Assignment operator.

GetRenderInteractiveLegend

bool GetRenderInteractiveLegend() const

Returns whether and interactive legend is rendered only when mouse is hovered over the “Legend” button depicted on the right top corner on the active site depiction.

GetResidueSVGMarkupFunctor

Attention

PRELIMINARY-IMAGE This is a preliminary API until 2018.Feb and may be improved based on user feedback. It is currently available in C++ and Python.

const OEResidueSVGMarkupBase &GetResidueSVGMarkupFunctor() const

Returns the functor that defines how the residues are marked in svg image. By default, residues are not marked (OEResidueSVGNoMarkup).

GetSVGMagnifyResidueInHover

double GetSVGMagnifyResidueInHover() const

Returns the scaling factor that is used to magnify residue glyphs when mouse is hover over them.

SetBackgroundColor

void SetBackgroundColor(const OESystem::OEColor &)

This is a no-op method. The background of the active site display is always OEWhite

SetDimensions

void SetDimensions(double width, double height, double scale)

This is a no-op method. The dimension of the active site display only be specified with the OE2DActiveSiteDisplayOptions constructor.

SetHeight

void SetHeight(double)

This is a no-op method. The height of the active site display can only be specified with the OE2DActiveSiteDisplayOptions constructor.

SetRenderInteractiveLegend

void SetRenderInteractiveLegend(bool render)

Sets whether and interactive legend is rendered only when mouse is hovered over the “Legend” button depicted on the right top corner on the active site depiction.

Note

This functionality is only available for .svg image format. In other image formats it has no effect.

SetResidueSVGMarkupFunctor

Attention

PRELIMINARY-IMAGE This is a preliminary API until 2018.Feb and may be improved based on user feedback. It is currently available in C++ and Python.

void SetResidueSVGMarkupFunctor(const OEResidueSVGMarkupBase &func)

Sets the functor that defines how the residues are marked in svg image. Drawing elements representing residues in svg image are grouped together in the following format in which the <group id> and <class name> strings are defined by the given functor:

<g id='<group id>' class='<class name>'>
..
list of drawing elements
..
</g>

Note

This setting has only effect when generating .svg images.

Example:

OEBio::OEInteractionHintContainer asite(receptor, ligand);
OEBio::OEPerceiveInteractionHints(asite);
OEPrepareActiveSiteDepiction(asite);

OE2DActiveSiteDisplayOptions opts(600.0, 400.0);
opts.SetResidueSVGMarkupFunctor(OEResidueSVGStandardMarkup());

OE2DActiveSiteDisplay adisp(asite, opts);

OERenderActiveSite("SVGMarkResidues.svg", adisp);

SetSVGMagnifyResidueInHover

void SetSVGMagnifyResidueInHover(double scale)

Sets the scaling factor that is used to magnify residue glyphs when mouse is hover over them.

scale
This value has to be in a range of [1.00, 3.00]. The default value is 1.00 which has has no effect.

Hint

This is a very useful feature when generating an active site image with residue labels that are too small to read.

Note

This functionality is only available for .svg image format. In other image formats it has no effect.

SetScale

void SetScale(double)

This is a no-op method. The active site display can not be scaled.

SetSuperAtomStyle

void SetSuperAtomStyle(unsigned int)

This is a no-op method. The super atom style can not be used when depicting an active site.

SetWidth

void SetWidth(double)

This is a no-op method. The width of the active site display can only be specified with the OE2DActiveSiteDisplayOptions constructor.