Esempio n. 1
0
    def testGetCopyForOneRing(self):
        """
        This method tests the getCopyForOneRing method, which returns
        an atom object list that contains deep copies of the atoms
        """

        testAtomList=Molecule(SMILES='C1CCCCC1').atoms
        copiedAtomList=getCopyForOneRing(testAtomList)

        testMolecule=Molecule(atoms=testAtomList)
        copiedMolecule=Molecule(atoms=copiedAtomList)

        self.assertTrue(testAtomList!=copiedAtomList)
        self.assertTrue(len(testAtomList)==len(copiedAtomList))
        self.assertTrue(testMolecule.is_equal(copiedMolecule))
Esempio n. 2
0
    def testGetCopyForOneRing(self):
        """
        This method tests the getCopyForOneRing method, which returns
        an atom object list that contains deep copies of the atoms
        """

        testAtomList = Molecule(SMILES='C1CCCCC1').atoms
        copiedAtomList = getCopyForOneRing(testAtomList)

        testMolecule = Molecule(atoms=testAtomList)
        copiedMolecule = Molecule(atoms=copiedAtomList)

        self.assertTrue(testAtomList != copiedAtomList)
        self.assertTrue(len(testAtomList) == len(copiedAtomList))
        self.assertTrue(testMolecule.is_equal(copiedMolecule))