Minor fix

CalebBell · Nov 12, 2023 · 174b5fb · 174b5fb
1 parent 0e27831
commit 174b5fb
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Showing 2 changed files with 9 additions and 2 deletions.
diff --git a/tests/test_equilibrium.py b/tests/test_equilibrium.py
@@ -1309,6 +1309,10 @@ def test_equilibrium_ternary_air_PR():
     assert_close(res.gas.humidity_ratio(), 0.009998742813826613)
     assert_close(res.bulk.humidity_ratio(), 0.009998742813826613)
 
+    assert_close1d(res.zs_no_water(), [0.20999959359505813, 0.7900004064049418, 0.0])
+    assert_close1d(res.bulk.zs_no_water(), [0.20999959359505813, 0.7900004064049418, 0.0])
+    assert_close2d([i.zs_no_water() for i in res.phases], [[0.20999959359505813, 0.7900004064049418, 0.0]])
+
 def test_Phase_to_EquilibriumState():
     constants = ChemicalConstantsPackage(atomss=[{'O': 2}, {'N': 2}, {'H': 2, 'O': 1}], CASs=['7782-44-7', '7727-37-9', '7732-18-5'], Gfgs=[0.0, 0.0, -228554.325], Hfgs=[0.0, 0.0, -241822.0], MWs=[31.9988, 28.0134, 18.01528], names=['oxygen', 'nitrogen', 'water'], omegas=[0.021, 0.04, 0.344], Pcs=[5042945.25, 3394387.5, 22048320.0], Sfgs=[0.0, 0.0, -44.499999999999964], Tbs=[90.188, 77.355, 373.124], Tcs=[154.58, 126.2, 647.14], Tms=[54.36, 63.15, 273.15], Vcs=[7.34e-05, 8.95e-05, 5.6e-05])
 

diff --git a/thermo/equilibrium.py b/thermo/equilibrium.py
@@ -2360,7 +2360,9 @@ def zs_no_water(self, phase=None):
                 zs[i] *= m
         else:
             zs *= m
-        return m
+
+        zs[water_index] = 0.0
+        return zs
 
     def ws_no_water(self, phase=None):
         r'''Method to calculate and return the mass fractions of all species
@@ -2390,7 +2392,8 @@ def ws_no_water(self, phase=None):
                 ws[i] *= m
         else:
             ws *= m
-        return m
+        ws[water_index] = 0.0
+        return ws
 
     def phis(self, phase=None):
         if phase is not None: