getEntriesBoundaries

src/getEntriesBoundaries.js

getEntriesBoundaries(string: any, substring: any, eol: any)

Parameters

string (any)

substring (any)

eol (any)

getMolecule

src/iterator.js

Convert a SDF part to an object

getMolecule(sdfPart: string, options: object)

Parameters

sdfPart (string) text containing the molfile

options (object) options

Name	Description
options.eol string	end of line character
options.dynamicTyping boolean	Dynamically type the data (create numbers and booleans)

getMolecule

src/util/getMolecule.js

Parse the molfile and the properties with > < labels >

getMolecule(sdfPart: string, labels: any, currentLabels: any, options: object)

Parameters

sdfPart (string)

labels (any)

currentLabels (any)

options (object)

iterator

src/iterator.js

Parse a SDF file as an iterator

iterator(readStream: ReadableStream, options: object)

Parameters

readStream (ReadableStream) SDF file to parse

options (object = {}) iterator options

Name	Description
options.filter Function?	Callback allowing to filter the molecules
options.eol string (default '\n')	End of line character
options.dynamicTyping boolean?	Dynamically type the data

parse

src/parse.js

Parse a SDF file

parse(sdf: (string | ArrayBuffer | Uint8Array), options: object): object

Parameters

sdf ((string | ArrayBuffer | Uint8Array)) SDF file to parse

options (object = {})

Name	Description
options.include Array<string>?	List of fields to include
options.exclude Array<string>?	List of fields to exclude
options.filter Function?	Callback allowing to filter the molecules
options.dynamicTyping boolean?	Dynamically type the data
options.modifiers object?	Object containing callbacks to apply on some specific fields
options.mixedEOL boolean (default false)	Set to true if you know there is a mixture between \r\n and \n
options.eol string?	Specify the end of line character. Default will be the one found in the file

Returns

object: Object containing the molecules, the labels and the statistics