Add Gamma states to MolecularTermSymbol class

xnx · Feb 2, 2022 · c56b385 · c56b385
1 parent e597d07
commit c56b385
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Showing 2 changed files with 23 additions and 1 deletion.
diff --git a/src/pyvalem/states/molecular_term_symbol.py b/src/pyvalem/states/molecular_term_symbol.py
@@ -39,6 +39,12 @@
     "PHI",
     "PHIg",
     "PHIu",
+    "Γ",
+    "Γg",
+    "Γu",
+    "GAMMA",
+    "GAMMAg",
+    "GAMMAu",
     "A",
     "A'",
     'A"',
@@ -140,9 +146,13 @@
     "PHI": "Φ",
     "PHIg": "Φg",
     "PHIu": "Φu",
+    "GAMMA": "Γ",
+    "GAMMAg": "Γg",
+    "GAMMAu": "Γu",
 }
 
-latex_terms = {"Σ": r"\Sigma", "Π": r"\Pi", "Δ": r"\Delta", "Φ": r"\Phi"}
+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")

diff --git a/tests/test_molecular_term_symbol.py b/tests/test_molecular_term_symbol.py
@@ -72,6 +72,18 @@ def test_greek_letter_conversion(self):
         self.assertEqual(str(m3), "3Σ+u")
         self.assertEqual(m3.html, "<sup>3</sup>Σ<sup>+</sup><sub>u</sub>")
 
+        m3 = MolecularTermSymbol("4GAMMA")
+        self.assertEqual(m3.Smult, 4)
+        self.assertEqual(m3.irrep, "Γ")
+        self.assertEqual(str(m3), "4Γ")
+        self.assertEqual(m3.html, "<sup>4</sup>Γ")
+
+        m3 = MolecularTermSymbol("2GAMMAg")
+        self.assertEqual(m3.Smult, 2)
+        self.assertEqual(m3.irrep, "Γg")
+        self.assertEqual(str(m3), "2Γg")
+        self.assertEqual(m3.html, "<sup>2</sup>Γ<sub>g</sub>")
+
         m3 = MolecularTermSymbol('A(1A")')
         self.assertEqual(str(m3), 'A(1A")')
         self.assertEqual(m3.html, 'A<sup>1</sup>A"')