chemistry_tools
0.4.0
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API Reference

  • chemistry_tools.elements
  • chemistry_tools.formulae
  • chemistry_tools.pubchem
    • chemistry_tools.pubchem.atom
    • chemistry_tools.pubchem.bond
    • chemistry_tools.pubchem.compound
    • chemistry_tools.pubchem.description
    • chemistry_tools.pubchem.enums
    • chemistry_tools.pubchem.errors
    • chemistry_tools.pubchem.full_record
    • chemistry_tools.pubchem.images
    • chemistry_tools.pubchem.lookup
    • chemistry_tools.pubchem.properties
    • chemistry_tools.pubchem.pug_rest
    • chemistry_tools.pubchem.synonyms
    • chemistry_tools.pubchem.utils
  • chemistry_tools.cache
  • chemistry_tools.cas
  • chemistry_tools.constants
  • chemistry_tools.names
  • chemistry_tools.spectrum_similarity
  • chemistry_tools.units

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chemistry_tools
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  • chemistry_tools.pubchem
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chemistry_tools.pubchemΒΆ

Attention

This package has the following additional requirements:

cawdrey>=0.1.7
mathematical>=0.1.13
pillow>=7.0.0
pyparsing>=2.2.0
tabulate>=0.8.3

These can be installed as follows:

python -m pip install chemistry_tools[pubchem]
  • chemistry_tools.pubchem.atom
    • Atom
    • parse_atoms
  • chemistry_tools.pubchem.bond
    • Bond
    • BondType
    • parse_bonds
  • chemistry_tools.pubchem.compound
    • C
    • Compound
    • compounds_to_frame
  • chemistry_tools.pubchem.description
    • get_common_name
    • get_compound_id
    • get_description
    • get_iupac_name
    • parse_description
    • rest_get_description
  • chemistry_tools.pubchem.enums
    • CoordinateType
    • PubChemFormats
    • PubChemNamespace
  • chemistry_tools.pubchem.errors
    • BadRequestError
    • HTTPTimeoutError
    • HTTP_ERROR_CODES
    • MethodNotAllowedError
    • NotFoundError
    • PubChemHTTPError
    • ResponseParseError
    • ServerError
    • UnimplementedError
  • chemistry_tools.pubchem.full_record
    • parse_full_record
    • rest_get_full_record
  • chemistry_tools.pubchem.images
    • get_structure_image
  • chemistry_tools.pubchem.lookup
    • get_compounds
  • chemistry_tools.pubchem.properties
    • PROPERTY_MAP
    • PropData
    • PubChemProperty
    • force_valid_properties
    • get_properties
    • get_property
    • insert_valid_properties_table
    • parse_properties
    • rest_get_properties
    • rest_get_properties_json
    • string_list
    • valid_properties
    • valid_property_descriptions
  • chemistry_tools.pubchem.pug_rest
    • async_get
    • do_rest_get
    • get_full_json
    • request
  • chemistry_tools.pubchem.synonyms
    • Synonyms
    • get_synonyms
    • rest_get_synonyms
  • chemistry_tools.pubchem.utils
    • format_string
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© Copyright 2019-2020 Dominic Davis-Foster Revision 66ec4405.

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