Ejemplo n.º 1
0
    def setUp(self):
        self.nrigid = 5
        self.boxl = np.array([5, 5, 5])
        self.system = MorseBulk(self.nrigid, self.boxl)

        #         self.mindist = self.system.get_mindist()
        self.transform = TransformPeriodic()
        self.measure = MeasurePeriodic(self.boxl, permlist=[])
        self.exact_match = ExactMatchPeriodic(self.measure, accuracy=1e-5)
        self.mindist = MinDistBulk(self.boxl, self.measure)

        self.x1 = self.system.get_random_configuration()
        self.x2diff = self.system.get_random_configuration()
        self.x2same = self.x1.copy()
        self.x2trans = self.x1.copy()
        trans = np.random.random(3) * self.boxl
        self.transform.translate(self.x2trans, trans)