Fix bug in Moore labelling of atomic states

xnx · Aug 16, 2023 · b09fb67 · b09fb67
1 parent 339c1d9
commit b09fb67
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Showing 3 changed files with 7 additions and 4 deletions.
diff --git a/setup.py b/setup.py
@@ -8,7 +8,7 @@
 
 setup(
     name="pyvalem",
-    version="2.5.14",
+    version="2.5.15",
     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/atomic_term_symbol.py b/src/pyvalem/states/atomic_term_symbol.py
@@ -47,7 +47,7 @@ def __init__(self, state_str):
         self.L = None
         self.parity = None
         self.J = None
-        self.moore_letter = ""
+        self.moore_label = ""
         self._parse_state(state_str)
 
     def _parse_state(self, state_str):
@@ -87,7 +87,7 @@ def _validate_j(self):
     def html(self):
         html_chunks = [
             "{0}<sup>{1:d}</sup>{2:s}".format(
-                self.moore_letter, self.Smult, self.Lletter
+                self.moore_label, self.Smult, self.Lletter
             )
         ]
         if self.parity:
@@ -101,7 +101,7 @@ def html(self):
     def latex(self):
         latex_chunks = [
             r"{}{{}}^{{{}}}\mathrm{{{}}}".format(
-                self.moore_letter, self.Smult, self.Lletter
+                self.moore_label, self.Smult, self.Lletter
             )
         ]
         if self.parity:

diff --git a/tests/test_atomic_term_symbols.py b/tests/test_atomic_term_symbols.py
@@ -60,6 +60,9 @@ def test_moore_label(self):
         self.assertEqual(a1.moore_label, "z")
         self.assertEqual(a2.moore_label, "")
         self.assertEqual(a3.moore_label, "e")
+        self.assertEqual(a0.html, "a<sup>5</sup>D")
+        self.assertEqual(a0.latex, r"a{}^{5}\mathrm{D}")
+        self.assertEqual(a1.latex, r"z{}^{3}\mathrm{P}^o")
         self.assertRaises(AtomicTermSymbolError, AtomicTermSymbol, "A5D")