Chemistry Tools

Python tools for analysis of chemical compounds.

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Installation

from PyPIfrom Anacondafrom GitHub

python3 -m pip install chemistry_tools --user

Contents

API Reference

• chemistry_tools.elements
  • References
  • Examples
  • alkali_metals
  • alkaline_earth_metals
  • transition_metals
  • triels
  • tetrels
  • pnictogens
  • chalcogens
  • halogens
  • noble_gases
  • lanthanides
  • actinides
  • classes
• chemistry_tools.formulae
  • chemistry_tools.formulae.composition
  • chemistry_tools.formulae.compound
  • chemistry_tools.formulae.dataarray
  • chemistry_tools.formulae.formula
  • chemistry_tools.formulae.html
  • chemistry_tools.formulae.iso_dist
  • chemistry_tools.formulae.latex
  • chemistry_tools.formulae.parser
  • chemistry_tools.formulae.species
  • chemistry_tools.formulae.unicode
  • chemistry_tools.formulae.utils
• 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
  • cache
  • cache_dir
  • cached_requests
  • clear_cache
• chemistry_tools.cas
  • cas_int_to_string
  • cas_string_to_int
  • check_cas_number
• chemistry_tools.constants
  • Constant
  • atomic_mass_constant
  • avogadro_number
  • boltzmann_constant
  • electron_radius
  • faraday_constant
  • molar_gas_constant
  • neutron_mass
  • plancks_constant
  • prefixes
  • speed_of_light
  • vacuum_permittivity
• chemistry_tools.names
  • cas_from_iupac_name
  • get_IUPAC_parts
  • get_IUPAC_sort_order
  • get_sorted_parts
  • iupac_name_from_cas
  • multiplier_regex
  • re_strings
  • sort_IUPAC_names
  • sort_array_by_name
  • sort_dataframe_by_name
• chemistry_tools.spectrum_similarity
  • SpectrumSimilarity
  • create_array
  • normalize
  • spectrum_similarity
• chemistry_tools.units
  • SI_base_registry
  • allclose
  • as_latex
  • cm3
  • compare_equality
  • dimension_codes
  • dm
  • dm3
  • format_si_units
  • format_string
  • kilogray
  • kilojoule
  • m3
  • m_math_space
  • micromole
  • molal
  • nanomolar
  • nanomole
  • per100eV
  • perMolar_perSecond
  • umol_per_J

Contributing

• Contributing
  • Coding style
  • Automated tests
  • Type Annotations
  • Build documentation locally
• Downloading source code
  • Building from source
• License

View the Function Index or browse the Source Code.

Browse the GitHub Repository