Tests: test_count_species_in_well

ReactionMechanismGenerator · Nov 28, 2023 · 9196df4 · 9196df4
1 parent 8c0ab52
commit 9196df4
Showing 1 changed file with 15 additions and 0 deletions.
diff --git a/tests/test_flux.py b/tests/test_flux.py
@@ -391,6 +391,21 @@ def test_get_opposite_rxn_species():
     assert flux.get_opposite_rxn_species(rxn=rxn, spc='H(3)') == ['H2O2(18)']
     assert flux.get_opposite_rxn_species(rxn=rxn, spc='H2O2(18)') == ['H(3)', 'HO2(6)']
 
+    rxn = 'HO2 + NO <=> NO2 + OH'
+    assert flux.get_opposite_rxn_species(rxn=rxn, spc='HO2') == ['NO2', 'OH']
+    assert flux.get_opposite_rxn_species(rxn=rxn, spc='NO') == ['NO2', 'OH']
+    assert flux.get_opposite_rxn_species(rxn=rxn, spc='NO2') == ['HO2', 'NO']
+    assert flux.get_opposite_rxn_species(rxn=rxn, spc='OH') == ['HO2', 'NO']
+
+
+def test_count_species_in_well():
+    """Test counting a species in a well"""
+    assert flux.count_species_in_well(well='H2O + H + H', spc='H2O') == 1
+    assert flux.count_species_in_well(well='H2O + H + H', spc='H') == 2
+    assert flux.count_species_in_well(well='H2O + H + H', spc='H2') == 0
+    assert flux.count_species_in_well(well='HO2 + NO', spc='NO') == 1
+    assert flux.count_species_in_well(well='NO2 + OH', spc='NO') == 0
+
 
 def test_get_other_reactants_and_products():
     """Test getting the reactants and products other than a given species."""