Fix deprecated open_text call in atom_data.py and remind zsh users ho…

…w to install pyvalem in dev environment

README.rst

@@ -191,6 +191,12 @@ installed into the virtual environment in editable mode with
 
     pip install -e .[dev]
 
+or on zsh:
+
+.. code-block:: zsh
+
+   pip install -e .'[dev]'
+
 The ``[dev]`` extra installs (apart from the package dependencies) also several
 development-related packages, such as ``pytest``, ``black``, ``tox`` or ``ipython.``
 The tests can then be executed by running (from the project root directory)

src/pyvalem/atom_data.py

@@ -179,7 +179,9 @@ def float_or_none(f):
 # Atom data is from Meija et al., "Atomic weights of the elements 2013
 # (IUPAC Technical Report)", Pure Appl. Chem. 88(3), 265-291, 2016.
 # See https://ciaaw.org/atomic-weights.htm
-with pkg_resources.open_text("pyvalem", "_data_atomic_weights.txt") as fi:
+with pkg_resources.files("pyvalem").joinpath("_data_atomic_weights.txt").open(
+    "r", encoding="utf8"
+) as fi:
     reader = csv.reader(fi, delimiter=",")
     header = ["Symbol", "Name", "Z", "atomic_weight", "atomic_weight_unc"]
     for row in reader:
@@ -199,7 +201,9 @@ def float_or_none(f):
 # 030002 (2017); Wang et al., "The Ame2016 atomic mass evaluation (II)",
 # Chinese Physics C41, 030003 (2017).
 # See http://amdc.impcas.ac.cn/masstables/Ame2016/mass16.txt
-with pkg_resources.open_text("pyvalem", "_data_isotope_masses.txt") as fi:
+with pkg_resources.files("pyvalem").joinpath("_data_isotope_masses.txt").open(
+    "r", encoding="utf8"
+) as fi:
     reader = csv.reader(fi, delimiter=",")
     header = ["Z", "A", "Symbol", "mass", "mass_unc", "estimated_flag"]
     iso_attribs = [

src/pyvalem/states/atomic_term_symbol.py

@@ -87,7 +87,7 @@ def html(self):
 
     @property
     def latex(self):
-        latex_chunks = ["{{}}^{{{}}}\mathrm{{{}}}".format(self.Smult, self.Lletter)]
+        latex_chunks = [r"{{}}^{{{}}}\mathrm{{{}}}".format(self.Smult, self.Lletter)]
         if self.parity:
             latex_chunks.append("^o")
         if self.J is not None:

src/pyvalem/states/molecular_term_symbol.py

@@ -203,7 +203,6 @@ def __init__(self, state_str):
         self._parse_state(state_str)
 
     def _parse_state(self, state_str):
-
         try:
             components = molecule_term_with_label.parseString(state_str)
         except pp.ParseException:

src/pyvalem/states/rotational_state.py

@@ -30,7 +30,6 @@ def __init__(self, state_str):
         self._parse_state(state_str)
 
     def _parse_state(self, state_str):
-
         try:
             k, v = state_str.split("=")
             if k.strip() != "J":

tests/test_atomic_configurations.py

@@ -12,7 +12,6 @@
 
 class AtomicConfigurationTest(unittest.TestCase):
     def test_atomic_configuration(self):
-
         c0 = AtomicConfiguration("1s2")
         c1 = AtomicConfiguration("1s2.2s2")
         c2 = AtomicConfiguration("1s2.2s2.2p6")

tests/test_racah_symbols.py

@@ -9,7 +9,6 @@
 
 class RacahSymbolTest(unittest.TestCase):
     def test_racah_symbol(self):
-
         r0 = RacahSymbol("5s'[1/2]_1")
         self.assertEqual(r0.html, "5s'[1/2]<sub>1</sub>")
         self.assertEqual(r0.principal, 5)

tests/test_stateful_species.py

@@ -12,7 +12,6 @@
 
 class StatefulSpeciesTest(unittest.TestCase):
     def test_stateful_species_parsing(self):
-
         _ = StatefulSpecies("Ar *")
         _ = StatefulSpecies("CrH 1sigma2.2sigma1.1pi4.3sigma1; 6SIGMA+")
         _ = StatefulSpecies("H(35Cl) J=2")
@@ -45,7 +44,6 @@ def test_stateful_species_parsing(self):
         self.assertEqual(ss4.states[0].html, "3p'[3/2]<sub>1</sub>")
 
     def test_stateful_species_equality(self):
-
         ss1 = StatefulSpecies("HCl v=2;J=0")
         ss2 = StatefulSpecies("HCl J=0;v=2")
 

tests/test_vibrational_state.py

@@ -70,7 +70,6 @@ def test_generic_excited_vibrational_state(self):
         self.assertRaises(VibrationalStateError, VibrationalState, "v=***x")
 
     def test_vibrational_state_equality(self):
-
         v1 = VibrationalState("v1+3v4")
         v2 = VibrationalState("ν1+3ν4")
         v3 = VibrationalState("3v4+v1")
@@ -86,7 +85,6 @@ def test_vibrational_state_equality(self):
         self.assertNotEqual(v6, v7)
 
     def test_vibrational_state_repr(self):
-
         v1 = VibrationalState("3v1+v3")
         v2 = VibrationalState("3ν1+ν3")
         self.assertTrue(repr(v1) == repr(v2) == "3ν1+ν3")