OE2DActiveSiteDisplay

class OE2DActiveSiteDisplay

This class represents OE2DActiveSiteDisplay that stores the depiction information (such as 2D coordinates, representation styles etc.) of an active site.

An active site display can be rendered into an image using the OEPrepareActiveSiteDepiction and OERenderActiveSite functions.

Code Example

Constructors

OE2DActiveSiteDisplay(const OEBio::OEInteractionHintContainer &asite,
                      const OE2DActiveSiteDisplayOptions &opts)

Initializes an OE2DActiveSiteDisplay object using the given display options.

asite

The active site for which display information is stored in the OE2DActiveSiteDisplay object.

opts

The OE2DActiveSiteDisplayOptions object that stores properties that determine the styles of the active site depiction.

Warning

GetDisplayedLigand

const OEChem::OEMolBase *GetDisplayedLigand() const

Returns a pointer to the display ligand of the active site.

GetDisplayedResidues

OESystem::OEIterBase<OEChem::OEResidue> *
  GetDisplayedResidues(unsigned int renderstyle=OEActiveSiteRenderStyle::Default) const

Returns an iterator over the displayed residues of the given style.

renderstyle

This value has to be from the OEActiveSiteRenderStyle namespace.

GetHeight

double GetHeight() const

Returns the height of the displayed active site.

GetOptions

const OE2DActiveSiteDisplayOptions &GetOptions() const

Returns the options used to initialized the OE2DActiveSiteDisplay object.

GetWidth

double GetWidth() const

IsValid

bool IsValid() const

Returns whether the OE2DActiveSiteDisplay object was initialized successfully.

Hint

It is highly recommend to check whether an active site display is valid after initialization.