ExtSDF-class: Class "ExtSDF"
In girke-lab/ChemmineR-release: Cheminformatics Toolkit for R

Description Objects from the Class Slots Methods Author(s) References See Also Examples

This is a subclass of SDF and thus inherits all the slots and methods from that class. It adds a list of extended attributes for atoms and bonds. These attributes can curretnly only be populated from a V3000 formatted SDF file.

Objects can be created by calls of the form new("ExtSDF", ...). The function read.SDFset will also return objects of this class if the argument extendedAttributes is set to "TRUE".

extendedAtomAttributes:: Object of class "list"
extendedBondAttributes:: Object of class "list"

getAtomAttr: signature(x = "ExtSDF"): returns atom attributes as a named list of values
getBondAttr: signature(x = "ExtSDF"): returns bond attributes as a named list of values
show: signature(object = "ExtSDF"): prints summary of SDF as well as any defined extended attributes for the atoms or bonds