feos.ChemicalRecord¶

class feos.ChemicalRecord(identifier, segments, bonds=None)¶

Information about segments and bonds of a molecule.

Methods

`__init__`()
`from_json`(substances, file, identifier_option)	Read a list of [ChemicalRecord]s from a JSON file.
`from_json_str`(json)	Creates record from json string.
`from_smiles`(identifier, smarts)
`to_json_str`()	Creates a json string from record.

Attributes