createAtom: make a CDK atom from ChemDoodle JSON

In zachcp/chemdoodle: Htmlwigdets interace to Chemdoodle Web Components

Description

a (Array) : Array of atom objects. [ i (String) : A unique identifier for this atom, only needs to be provided if necessary ,l (String, default='C') : Label ,x (Number, required) : X coordinate ,y (Number, required) : Y coordinate ,z (Number, default=0) : Z coordinate ,c (Integer, default=0) : Charge ,m (Integer, default=-1) : Mass ,r (Integer, default=0) : Number of radicals ,p (Integer, default=0) : Number of lone pairs ,q (Object, default=undefined) : If present, this object defines the query for the atom, as described by the query section below , ]

Usage

createAtom(atom)

zachcp/chemdoodle documentation built on April 13, 2021, 7:36 a.m.