esmraldi.speciesrule¶
Module Contents¶
Classes¶
Class to model the rule of a species. |
Functions¶
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Naming function for species. |
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Constructs a new SpeciesRule from a json file. |
- esmraldi.speciesrule.parts_eval(i, parts)¶
Naming function for species.
- Parameters
- i: int
variable, count of species
- parts: list
different parts in string
- Returns
- str
current name
- esmraldi.speciesrule.json_to_species(filename)¶
Constructs a new SpeciesRule from a json file.
- Parameters
- filename: str
input filename
- Returns
- SpeciesRule
species
- class esmraldi.speciesrule.SpeciesRule(name, category, mz, count=1, count_per_mol=1, begin=None, end_mz=None, family_number=None, naming_fn=None, adduct_fn=None)¶
Class to model the rule of a species.
Used to generate several species repeated a given number of times.
- species()¶
Extracts all species from this rule.
Creates a dictionary: key=name, value=m/z ratio.
- Returns
- dict
dictionary mapping species to m/z ratio