chemistry_tools.pubchem.full_record
Attention
This package has the following additional requirements:
cawdrey>=0.1.7 mathematical>=0.1.13 pillow>=7.0.0 pyparsing>=2.4.6 tabulate>=0.8.9
These can be installed as follows:
python -m pip install chemistry-tools[pubchem]
Functions for access the complete set of data held by PubChem for a compound.
Functions:
|
Parse the complete PubChem record for a compound. |
|
Obtains the full record for the given compound from the PubChem REST API. |
-
rest_get_full_record
(identifier, namespace=<PubChemNamespace.Name: 'name'>, record_type='2d', **kwargs)[source] Obtains the full record for the given compound from the PubChem REST API.
- Parameters
identifier (
Union
[str
,int
,Sequence
[Union
[str
,int
]]]) – Identifiers (e.g. name, CID) for the compound to look up. When using the CID namespace data for multiple compounds can be retrieved at once by supplying either a comma-separated string or a list.namespace (
Union
[PubChemNamespace
,str
]) – The type of identifier to look up. Valid values are inPubChemNamespace
. Default<PubChemNamespace.Name: 'name'>
.record_type (
str
) – Default'2d'
.kwargs – Optional arguments that
json.loads
takes.
- Raises
ValueError – If the response body does not contain valid JSON.
- Return type
- Returns
Parsed JSON data