ExtSDF-class {ChemmineR} | R Documentation

## Class "ExtSDF"

### Description

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 from the Class

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".

### Slots

`extendedAtomAttributes`:

  Object of class `"list"`

`extendedBondAttributes`:

  Object of class `"list"`

### Methods

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

### Author(s)

Kevin Horan

### References

SDF V3000 format definition: http://www.symyx.com/downloads/public/ctfile/ctfile.jsp

### See Also

Related classes: SDF, SDFset, SDFstr, AP, APset

### Examples

    	showClass("ExtSDF")

[Package ChemmineR version 2.30.2 Index]