Python findrotation_kabsch示例

示例#1

文件： _test_rotation.py 项目： pele-python/align

    def basic_test(self, x0, x1):
        x0bk = x0.copy()
        x1bk = x1.copy()
        
        rot = findrotation_kabsch(x0, x1)
#        rot = findrotation_kearsley(x0, x1)
        
        self.assertTrue((x0 == x0bk).all())
        self.assertTrue((x1 == x1bk).all())
        
        self.policy.rotate(x1, rot)
        self.assertLessEqual(self.measure.get_dist(x0, x1), self.measure.get_dist(x0bk, x1bk))

示例#2

文件： _test_rotation.py 项目： pele-python/align

    def basic_test(self, x0, x1):
        x0bk = x0.copy()
        x1bk = x1.copy()

        rot = findrotation_kabsch(x0, x1)
        #        rot = findrotation_kearsley(x0, x1)

        self.assertTrue((x0 == x0bk).all())
        self.assertTrue((x1 == x1bk).all())

        self.policy.rotate(x1, rot)
        self.assertLessEqual(self.measure.get_dist(x0, x1),
                             self.measure.get_dist(x0bk, x1bk))

示例#3

 def find_rotation(self, X1, X2):
     return findrotation_kabsch(X1, X2)

示例#4

文件： _cluster.py 项目： pele-python/align

 def find_rotation(self, X1, X2):
     return findrotation_kabsch(X1, X2)