def testProcessUniMultiReaction(self): if IGNORE_TEST: return games_pp2 = GAMES_PP(self.simple2) self.assertTrue(isinstance(games_pp2, GAMES_PP)) reaction = games_pp2.simple.getReaction(CH2FH4toHCHO) reactant1 = games_pp2.simple.getMolecule(CH2FH4) product1 = games_pp2.simple.getMolecule(FH4) product2 = games_pp2.simple.getMolecule(HCHO) games_pp2.processUniMultiReaction(reaction) som_reactant1 = games_pp2.getNode(reactant1) som_product1 = games_pp2.getNode(product1) som_product2 = games_pp2.getNode(product2) self.assertTrue(games_pp2.has_edge(som_product1, som_reactant1)) self.assertTrue(games_pp2.has_edge(som_product2, som_reactant1))
def testProcessUnequalSOMReaction(self): if IGNORE_TEST: return games_pp2 = GAMES_PP(self.simple2) self.assertTrue(len(games_pp2.edges) == 0) reaction = games_pp2.simple.getReaction(CH2FH4toHCHO) som_reaction = games_pp2.convertReactionToSOMReaction(reaction) games_pp2.processUnequalSOMReaction(som_reaction) self.assertTrue(len(games_pp2.edges) == 2) reactant1 = games_pp2.simple.getMolecule(FH4) reactant2 = games_pp2.simple.getMolecule(HCHO) product1 = games_pp2.simple.getMolecule(CH2FH4) games_pp2.processUniMultiReaction(reaction) som_product1 = games_pp2.getNode(product1) som_reactant1 = games_pp2.getNode(reactant1) som_reactant2 = games_pp2.getNode(reactant2) self.assertTrue(games_pp2.has_edge(som_reactant1, som_product1)) self.assertTrue(games_pp2.has_edge(som_reactant2, som_product1))