chemistry_tools.pubchem.images

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 handling images.

Functions:

get_structure_image(identifier[, namespace, …])

Returns an image of the structure of the compound with the given name.
get_structure_image(identifier, namespace=<PubChemNamespace.Name: 'name'>, width=300, height=300)[source]

Returns an image of the structure of the compound with the given name.

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 in PubChemNamespace. Default <PubChemNamespace.Name: 'name'>.

  • width (int) – The image width in pixels. Default 300.

  • height (int) – The image height in pixels. Default 300.

Return type

Image

Returns

Pillow Image data