shnitsel.data.state_helpers
===========================

.. py:module:: shnitsel.data.state_helpers


Attributes
----------

.. autoapisummary::

   shnitsel.data.state_helpers.higher_order_state_pattern_re
   shnitsel.data.state_helpers.triplet_state_pattern_re
   shnitsel.data.state_helpers.doublet_state_pattern_re
   shnitsel.data.state_helpers.singlet_state_pattern_re


Functions
---------

.. autoapisummary::

   shnitsel.data.state_helpers.default_state_type_assigner
   shnitsel.data.state_helpers.default_state_name_assigner
   shnitsel.data.state_helpers.set_sharc_state_type_and_name_defaults
   shnitsel.data.state_helpers.state_name_to_tex_label


Module Contents
---------------

.. py:data:: higher_order_state_pattern_re

.. py:data:: triplet_state_pattern_re

.. py:data:: doublet_state_pattern_re

.. py:data:: singlet_state_pattern_re

.. py:function:: default_state_type_assigner(dataset)

   Function to assign default state types to states independent of the format.

   :param dataset: The dataset to assign the states to
   :type dataset: xr.Dataset

   :returns: The dataset after the assignment
   :rtype: xr.Dataset


.. py:function:: default_state_name_assigner(dataset)

   Function to assign default state names to states.

   State names for Singlets are (S0, S1, S2, S3, S4...) higher-order multiplicities start with index 1 (no suffix for momentum in default naming due to lack of information).
   Prefixes for singlets, doublets and triplets are `S`, `D`, `T`. Higher-order states are not considered.

   :param dataset: The dataset to assign the states to
   :type dataset: xr.Dataset

   :returns: The dataset after the assignment
   :rtype: xr.Dataset


.. py:function:: set_sharc_state_type_and_name_defaults(dataset, multiplicity_counts, multiplicity_charges = None)

   Apply default sharc naming scheme to a dataset and set the state order appropriately. This is more specific than the general naming convention. Enumerates spin numbers on top of common plain enumeration of dublets and triplets.

   Can also be used to set the charges per state.
   State names for Singlets are (S0, S1, S2, S3, S4...) higher-order multiplicities start with index 1 and have a suffix depending on the angular momentum (+,none, -).
   Prefixes for singlets, doublets and triplets are `S`, `D`, `T`. Higher-order states are named with the pattern `S[<multiplicity>]<label index in multiplicity>::<angular momentum index>`.

   :param dataset: The input dataset to set the states on
   :type dataset: xr.Dataset
   :param multiplicity_counts: The list of amount of states of different multiplicities or the number of singlet states
   :type multiplicity_counts: List[int] | int
   :param multiplicity_charges:
                                The list of charges of different states or the charge to apply to all states.
                                    If not set, no charge will be set for all states
   :type multiplicity_charges: List | int | float, optional

   :returns: The dataset with state types, names and charges applied.
   :rtype: xr.Dataset


.. py:function:: state_name_to_tex_label(statename)

   Function to translate default state naming conventions into a general latex-subcscrip/-superscript label.

   :param statename: Statename as per Shnitsel default convention.
   :type statename: str

   :returns: A LaTeX representation of the state label
   :rtype: str