Merge pull request #220 from daankoning/units_patch

Make per100eV name match repr

.github/workflows/lint_python.yml

@@ -10,7 +10,7 @@ jobs:
           python-version: 3.x
       - run: pip install --upgrade pip wheel
       - run: pip install bandit "black[jupyter]" codespell flake8 flake8-2020 
-                         isort mypy pytest pyupgrade safety
+                         isort mypy pytest pyupgrade
       - run: bandit --recursive --skip B101,B102,B110,B112,B307,B404,B603,B607 .
       - run: black --check . || true
       - run: codespell --ignore-words-list="ans,claus,fith,nam,nd,ond,serie,te"
@@ -26,4 +26,3 @@ jobs:
       - run: pytest . || true
       - run: pytest --doctest-modules . || true
       - run: shopt -s globstar && pyupgrade --py37-plus **/*.py || true
-      - run: safety check

CONTRIBUTING.rst

@@ -18,7 +18,7 @@ this excellent documentation:
 
 You will submit your suggested changes (e.g. new feature/bugfix/documentation/typo-fix)
 as a pull request. The new version of the code is automatically tested in isolation on
-CI servers (remember to add your own tests in case you add new funcionality). In addition
+CI servers (remember to add your own tests in case you add new functionality). In addition
 to the automatic tests, the code will be reviewed with respect to documentation & clarity
 (docstrings follow the `numpy convention <https://github.com/numpy/numpy/blob/master/doc/HOWTO_DOCUMENT.rst.txt>`_).
 This project uses `black <https://github.com/psf/black>`_ to format its source code, it

chempy/kinetics/eyring.py

@@ -7,7 +7,6 @@
 import math
 
 from .._util import get_backend
-from ..util.regression import least_squares
 from ..util.pyutil import defaultnamedtuple
 from ..units import default_units, Backend, default_constants, format_string
 from .arrhenius import _get_R, _fit

chempy/kinetics/tests/_derive_analytic_cstr_bireac.ipynb

@@ -345,7 +345,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "# Pseduo reversible reaction (batch reactor)\n",
+    "# Pseudo reversible reaction (batch reactor)\n",
     "#\n",
     "#     A  +  B   <->   C\n",
     "# t  a0    b0-x     c0 + x\n",

chempy/units.py

@@ -74,7 +74,7 @@
         )
     if not hasattr(default_units, "per100eV"):
         default_units.per100eV = pq.UnitQuantity(
-            "per_100_eV",
+            "per100eV",
             1 / (100 * default_units.eV * default_constants.Avogadro_constant),
             u_symbol="(100eV)**-1",
         )

setup.cfg

@@ -1,22 +1,21 @@
 [flake8]
 
 max-line-length = 119
-extend-ignore = E203, W503
+extend-ignore = E203, W503, W504
 
 exclude =
     .jupyter
-
-ignore =
-    * W503 W504
-    __init__.py F401 F403
-    arrhenius.py F401
-    .jupyter
-    chempy/*.* E226
-    chempy/kinetics/tests/test_rates.py E221 E222 E251
-    chempy/properties/** E222
-    debye_huckel.py F401
-    doc/conf.py ALL
-    eyring.py F401
+    .local
+
+per-file-ignores =
+    **/__init__.py: F401 F403
+    chempy/arrhenius.py: F401
+    chempy/*.*: E226
+    chempy/kinetics/tests/test_rates.py: E221 E222 E251
+    chempy/properties/**: E222
+    chempy/debye_huckel.py: F401
+    doc/conf.py: ALL
+    chempy/eyring.py: F401
 
 [tool:pytest]
 norecursedirs = .* _* build dist conda-recipe scripts benchmarks doc deploy venv *cache*