def test2(self): from pele.storage import Database from pele.systems import LJCluster np.random.seed(0) natoms = 13 system = LJCluster(natoms) pot = system.get_potential() mindist = system.get_mindist(niter=1) db = Database() db.addMinimum(pot.getEnergy(_x1), _x1) db.addMinimum(pot.getEnergy(_x2), _x2) m1, m2 = db.minima() connect = DoubleEndedConnect(m1, m2, pot, mindist, db, verbosity=10) connect.connect() self.assertTrue(connect.success()) path = connect.returnPath()