ChemicalStructure#

class biopax-explorer.biopax.chemicalstructure.ChemicalStructure(*args, **kwargs)[source]#

Bases: UtilityClass

Class ChemicalStructure

Definition: The chemical structure of a small molecule. Usage: Structure

information is stored in the property structureData, in one of three formats: the CML format (see www.xml-cml.org), the SMILES format (see www.daylight.com/dayhtml/smiles/) or the InChI format (http://www.iupac.org/inchi/). The structureFormat property specifies which format is used. Examples: The following SMILES string describes the structure of glucose-6-phosphate: ‘C(OP(=O)(O)O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)’.

code generator : rdfobj (author F.Moreews 2023-2024).

Methods

`get_comment`()	Attribute _comment getter
`get_structureData`()	Attribute _structureData getter
`get_structureFormat`()	Attribute _structureFormat getter

attribute_type_by_name
get_uri_string
object_attributes
set_comment
set_structureData
set_structureFormat
set_uri_string
to_json
type_attributes

Methods Summary

`attribute_type_by_name`()
`get_structureData`()	Attribute _structureData getter
`get_structureFormat`()	Attribute _structureFormat getter
`get_uri_string`()
`object_attributes`()
`set_structureData`(value)
`set_structureFormat`(value)
`set_uri_string`(uristr)
`to_json`()
`type_attributes`()

Methods Documentation

attribute_type_by_name()[source]#

get_structureData()[source]#

Attribute _structureData getter
This property holds a string of data defining chemical structure,in one of the

three formats:<a href =”www.xml-cml.org”>CML</a>, <a href = “www.daylight.com/dayhtml/smiles/”>SMILES</a> or <a href=”http://www.iupac.org/inchi/”>InChI</a>. If, for example,the CML format is used, then the value of this property is a string containing the XML encoding of the CML data.

get_structureFormat()[source]#

Attribute _structureFormat getter: This property specifies which format is used to define chemical structure data.

get_uri_string()[source]#

object_attributes()[source]#

set_structureData(value)[source]#

set_structureFormat(value)[source]#

set_uri_string(uristr)[source]#

to_json()[source]#

type_attributes()[source]#