OEAtomSVGResidueMarkup¶

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.

Constructors¶

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

Creates an OEAtomSVGResidueMarkup object.

prefix: The string that will be added at the beginning of each atom group id. For information about valid ids see OEIsValidSVGGroupId function. By default, no prefix will be added.
classname: The class name that is going to be used to mark atoms. For information about valid names see OEIsValidSVGClassName function.
separator: The character used to separate the components (residue name, chain id, residue number, atom name) of the group id

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 the UNK label will be used for the residue name. The residue information can be perceived by calling the OEPerceiveResidues function.

Since a valid group id can not have a space character, each space character of the atom name (returned by OEAtomBase::GetName) is replaces by an _ (underline).

The transparent circle will be drawn with the atom position OE2DAtomDisplay::GetCoords center. This can be used to manipulate the generated .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 &) const

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