f4enix.output.fispact_legacy_out.Pathway

class f4enix.output.fispact_legacy_out.Pathway(parent: Nuclide, daughter: Nuclide, perc: float, reactions: list[str], intermediates: list[Nuclide] | None = None)

Bases: object

Class to represent a pathway in fispact.

Variables:

• parent (Nuclide) – The parent Nuclide object.

• daughter (Nuclide) – The daughter Nuclide object.

• perc (float) – The percentage of the pathway contribution to the daughter isotope.

• reactions (list[str]) – The list of reactions in the pathway.

• intermediates (list[Nuclide], optional) – The list of intermediate Nuclide objects in the pathway.

Methods

__init__(parent, daughter, perc, reactions)
from_string(string[, perc])	parse from string like: Ni58 -(n,p)-> Co58m -(IT)-> Co58
get_MT()	Return the MT number associated to the first reaction in the pathway.
is_multistep()	Return whether the pathway is a multistep pathway or not.
reduce([half_life_cutoff, tfc_computer])	Return a reduced pathway built from the original where isomeric transitions have been removed.

Attributes

intermediates
parent
daughter
perc
reactions

classmethod from_string(string: str, perc: float = 100) → Pathway

parse from string like: Ni58 -(n,p)-> Co58m -(IT)-> Co58

Parameters:

str (str) – string to parse

Returns:

parsed pathway

Return type:

Pathway

get_MT() → int | None

Return the MT number associated to the first reaction in the pathway.

is_multistep() → bool

Return whether the pathway is a multistep pathway or not. Isomeric transitions are not considered as steps in the pathway.

Returns:

True if the pathway is a multistep pathway, False otherwise.

Return type:

bool

reduce(half_life_cutoff: float | None = None, tfc_computer: TCF_Computer | None = None) → Pathway

Return a reduced pathway built from the original where isomeric transitions have been removed. It is possible to provide a half life cut-off value above which metastable steps will be retained.

Parameters:

• half_life_cutoff (float | None, optional) – threshold (in seconds) below which isomeric transitions shall be removed by default None. If a value is provided, also the tfc_computer must be provided.

• tfc_computer (TCF_Computer | None, optional) – TFC_Computer object used to retrieve half-life values, by default None

Returns:

New reduced pathway

Return type:

Pathway

Raises:

ValueError – If a half life cut-off is provided but no TFC_Computer.