OEAtomSVGResidueMarkup

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.

class OEAtomSVGResidueMarkup : public OEAtomSVGMarkupBase

This class represents the OEAtomSVGResidueMarkup atom SVG markup functor. If this functor is passed to the OE2DMolDisplayOptions.SetAtomSVGMarkupFunctor method, the atoms will be not marked in the svg image when calling the OERenderMolecule function.

The following methods are publicly inherited from OEAtomSVGMarkupBase:

CreateCopy GetClassName GetGroupId

Constructors

OEAtomSVGResidueMarkup(const std::string prefix="",
                       const std::string classname="ligand-atom")

Default constructor.

prefix
The string that will be added at the beginning of each atom group id. By default there no prefix will be added.
classname
The class name that is going to be used to mark atoms.

By default, the following will be showed in svg image for marking of the first atom of molecule NC(CCCNC(N)=N)C(O)=O with residue information:

By default, the svg image for the first atom of molecule NC(CCCNC(N)=N)C(O)=O with residue information will be marked as follows:

   <g id='ARG-A-1-_N__' class='ligand-atom'>
   ..
   list of drawing elements
   ..
   <circle ... />
   </g>


If there is no residue information attached to the atom ``UNK``
label will be used for the residue name. The residue information
can be perceived by calling the :oe:func`OEChem::OEPerceiveResidues`
function.

The transparent circle is drawn with the atom position
:oe:meth:`OEDepict::OE2DAtomDisplay::GetCoords` center.
This can be used to manipulate the generated :file:`.svg` image
and associate event with the SVG groups.

CreateCopy

OEAtomSVGMarkupBase *CreateCopy() const

Deep copy constructor that returns a copy of the object. The memory for the returned OEAtomSVGResidueMarkup object is dynamically allocated and owned by the caller.

GetClassName

std::string GetClassName(const OEChem::OEAtomBase &) const

Returns the string that specifies the group id of an atom in an svg image.

GetGroupId

std::string GetGroupId(const OEChem::OEAtomBase &a) const

Returns the string that specifies the class name of an atom in an svg image.