petitRADTRANS.chemistry.prt_molmass#

Interface between molmass and petitRADTRANS.

Attributes#

`_ELEMENT_NUMBER_TO_SYMBOL`
`_ELEMENT_SYMBOL_TO_NUMBER`

Functions#

`element_number2element_symbol`(→ str)	Convert an element's atomic number (e.g. 6) to its element symbol (e.g. 'C').
`element_symbol2element_number`(→ int)	Convert an element symbol (e.g. 'C') to its atomic number (e.g. 6).
`_get_cached_molmass_name`(→ tuple[str, Ellipsis])	Return the molmass tokens for a pRT species as an immutable cache entry.
`get_molmass_name`(species)	Convert a pRT species' name into a molmass-compatible name.
`_get_cached_species_elements`(→ tuple[tuple[str, int], ...)	Return species elements as immutable key-value pairs for safe caching.
`get_species_elements`(→ dict[str, int])	Decompose a species into its elements and their amount.
`get_species_molar_mass`(→ float)	Get the molecular mass of a given species.

Module Contents#

petitRADTRANS.chemistry.prt_molmass._ELEMENT_NUMBER_TO_SYMBOL#

petitRADTRANS.chemistry.prt_molmass._ELEMENT_SYMBOL_TO_NUMBER#

petitRADTRANS.chemistry.prt_molmass.element_number2element_symbol(atomic_number: int) → str#: Convert an element’s atomic number (e.g. 6) to its element symbol (e.g. ‘C’).

petitRADTRANS.chemistry.prt_molmass.element_symbol2element_number(symbol: str) → int#: Convert an element symbol (e.g. ‘C’) to its atomic number (e.g. 6).

petitRADTRANS.chemistry.prt_molmass._get_cached_molmass_name(species: str) → tuple[str, Ellipsis]#: Return the molmass tokens for a pRT species as an immutable cache entry.

petitRADTRANS.chemistry.prt_molmass.get_molmass_name(species: str)#: Convert a pRT species’ name into a molmass-compatible name.

petitRADTRANS.chemistry.prt_molmass._get_cached_species_elements(species: str) → tuple[tuple[str, int], Ellipsis]#: Return species elements as immutable key-value pairs for safe caching.

petitRADTRANS.chemistry.prt_molmass.get_species_elements(species: str) → dict[str, int]#

Decompose a species into its elements and their amount.

Example:

>>> get_species_elements('H2O')
>>> {'H': 2, 'O': 1}

Args:

species: pRT chemical formula of the species

Returns:

A dictionary containing the element symbols of the species as keys and their amount as values.

petitRADTRANS.chemistry.prt_molmass.get_species_molar_mass(species: str) → float#

Get the molecular mass of a given species.

This function uses the molmass package to calculate the mass number for the standard isotope of an input species. If all_iso is part of the input, it will return the mean molar mass.

Args:

speciesstring: The chemical formula of the compound. ie C2H2 or H2O

Returns:

The molar mass of the compound in atomic mass units.