From 6164a25ab4b88551a4c10c91ea3f3fbdc0684015 Mon Sep 17 00:00:00 2001 From: Martin Hanicinec Date: Wed, 2 Feb 2022 19:56:22 +0100 Subject: [PATCH] fix code formating, import State ABC and all the states exceptions into the states namespace, bump up the version --- setup.py | 2 +- src/pyvalem/states/__init__.py | 21 +++++++++++++-------- src/pyvalem/states/molecular_term_symbol.py | 9 +++++++-- 3 files changed, 21 insertions(+), 11 deletions(-) diff --git a/setup.py b/setup.py index 3e60c95..2f9ef2e 100644 --- a/setup.py +++ b/setup.py @@ -8,7 +8,7 @@ setup( name="pyvalem", - version="2.5.0", + version="2.5.1", description="A package for managing simple chemical species and states", long_description=long_description, long_description_content_type="text/x-rst", diff --git a/src/pyvalem/states/__init__.py b/src/pyvalem/states/__init__.py index 72c19ce..05994e8 100644 --- a/src/pyvalem/states/__init__.py +++ b/src/pyvalem/states/__init__.py @@ -1,9 +1,14 @@ -from .atomic_configuration import AtomicConfiguration -from .diatomic_molecular_configuration import DiatomicMolecularConfiguration -from .atomic_term_symbol import AtomicTermSymbol -from .molecular_term_symbol import MolecularTermSymbol +# import all the State classes and exceptions into the states namespace: +from ._base_state import State, StateParseError +from .atomic_configuration import AtomicConfiguration, AtomicConfigurationError +from .diatomic_molecular_configuration import ( + DiatomicMolecularConfiguration, + DiatomicMolecularConfigurationError, +) +from .atomic_term_symbol import AtomicTermSymbol, AtomicTermSymbolError +from .molecular_term_symbol import MolecularTermSymbol, MolecularTermSymbolError from .racah_symbol import RacahSymbol -from .rotational_state import RotationalState -from .vibrational_state import VibrationalState -from .generic_excited_state import GenericExcitedState -from .key_value_pair import KeyValuePair +from .rotational_state import RotationalState, RotationalStateError +from .vibrational_state import VibrationalState, VibrationalStateError +from .generic_excited_state import GenericExcitedState, GenericExcitedStateError +from .key_value_pair import KeyValuePair, KeyValuePairError diff --git a/src/pyvalem/states/molecular_term_symbol.py b/src/pyvalem/states/molecular_term_symbol.py index aa50cac..b7ec70b 100644 --- a/src/pyvalem/states/molecular_term_symbol.py +++ b/src/pyvalem/states/molecular_term_symbol.py @@ -151,8 +151,13 @@ "GAMMAu": "Γu", } -latex_terms = {"Σ": r"\Sigma", "Π": r"\Pi", "Δ": r"\Delta", "Φ": r"\Phi", - "Γ": r"\Gamma"} +latex_terms = { + "Σ": r"\Sigma", + "Π": r"\Pi", + "Δ": r"\Delta", + "Φ": r"\Phi", + "Γ": r"\Gamma", +} integer = pp.Word(pp.nums) molecule_Smult = integer.setResultsName("Smult")