new database integration

docs/database.rst

@@ -101,7 +101,7 @@ expect certain parameter names. The following are the currently-used internal
 names:
 
  - 'diffusion_coefficient' - diffusion coefficient
- - 'pitzer_parameters_activity' - coefficients for the Pitzer model for activity correction
+ - 'model_parameters.activity_pitzer' - coefficients for the Pitzer model for activity correction
  - 'pitzer_parameters_volume'- coefficients for the Pitzer model for partial molar volume
  - 'erying_viscosity_coefficients' - coefficients for an Erying-type viscosity correction model
  - 'partial_molar_volume'- the partial molar volume (used if Pitzer parameters are not available)

pyproject.toml

@@ -86,3 +86,4 @@ no_implicit_optional = false
 [tool.codespell]
 ignore-words-list = "nd"
 skip = 'tests/test_files/*'
+exclude = 'src/pyEQL/database/pyeql_db.json'

setup.py

@@ -1,10 +1,10 @@
 """
-    Setup file for pyEQL.
-    Use setup.cfg to configure your project.
+Setup file for pyEQL.
+Use setup.cfg to configure your project.
 
-    This file was generated with PyScaffold 4.5.
-    PyScaffold helps you to put up the scaffold of your new Python project.
-    Learn more under: https://pyscaffold.org/
+This file was generated with PyScaffold 4.5.
+PyScaffold helps you to put up the scaffold of your new Python project.
+Learn more under: https://pyscaffold.org/
 """
 from setuptools import setup
 

src/pyEQL/__init__.py

@@ -46,12 +46,5 @@
 # set the default string formatting for pint quantities
 unit.default_format = "P~"
 
-# this must be imported after instantiating the UnitRegistry()
-from pyEQL.database import Paramsdb  # noqa
-
-# initialize the parameters database
-# paramsDB = Paramsdb()
-paramsDB = None
-
 from pyEQL.functions import *  # noqa: E402, F403
 from pyEQL.solution import Solution  # noqa: E402