# Path: molmod/test/common.py
# class BaseTestCase(unittest.TestCase):
#     def assertArraysEqual(self, a, b):
#         self.assertEqual(a.shape, b.shape, "The array shapes do not match.")
#         assert (a==b).all(), "The array values do not match."
# 
#     def assertArrayConstant(self, arr, const):
#         assert (arr==const).all(), "Some/All array values do not match the constant."
# 
#     def assertArraysAlmostEqual(self, a, b, threshold=1e-6, mean=False, doabs=False):
#         self.assertEqual(a.shape, b.shape, "The array shapes do not match.")
#         if a.shape == (0,):
#             return
#         if mean:
#             abserr = abs(a-b).mean()
#             oom = 0.5*(abs(a).mean()+abs(b).mean())
#         else:
#             abserr = abs(a-b).max()
#             oom = 0.5*(abs(a).max()+abs(b).max())
#         if doabs:
#             assert abserr <= threshold, "The absolute error is larger than the given threshold: %5.3e > %5.3e" % (abserr, threshold)
#         else:
#             relerr = abserr/oom
#             assert relerr <= threshold, "The relative error is larger than the given threshold: %5.3e > %5.3e" % (relerr, threshold)
# 
#     def assertArrayAlmostConstant(self, arr, const, relerr_threshold):
#         error = abs(arr-const).max()
#         oom = const
#         relerr = error/oom
#         assert relerr <= relerr_threshold, "The relative error is larger than the given threshold: %5.3e > %5.3e" % (relerr, relerr_threshold)
# 
#     def assertArrayAlmostZero(self, arr, abserr_threshold):
#         abserr = abs(arr).max()
#         assert abserr <= abserr_threshold, "The absolute error is larger than the given threshold: %5.3e > %5.3e" % (abserr, abserr_threshold)


import numpy as np
from molmod.test.common import BaseTestCase
from molmod import *
            cos = cosine(a+b,a-b)
            self.assertAlmostEqual(cos, 0)

    def test_angle(self):
        for i in range(100):
            a = np.random.normal(0,1,3)
            b = np.random.normal(0,1,3)
            alpha = angle(a,b)
            assert alpha>=0.0
            assert alpha<=np.pi
            alpha = angle(a,a)
            self.assertAlmostEqual(alpha, 0.0)
            alpha = angle(a,-a)
            self.assertAlmostEqual(alpha, np.pi)
            a /= np.linalg.norm(a)
            b /= np.linalg.norm(b)
            alpha = angle(a+b,a-b)
            self.assertAlmostEqual(alpha, np.pi/2)

    def test_random_unit(self):
        for i in range(100):
            self.assertAlmostEqual(np.linalg.norm(random_unit(10)), 1.0)
            self.assertAlmostEqual(np.linalg.norm(random_unit()), 1.0)
            self.assertEqual(len(random_unit()), 3)

    def test_random_orthonormal(self):
        for i in range(100):
            a = np.random.normal(0,1,3)
            b = random_orthonormal(a)
            self.assertAlmostEqual(np.dot(a,b), 0)

# Path: molmod/test/common.py
# class BaseTestCase(unittest.TestCase):
#     def assertArraysEqual(self, a, b):
#         self.assertEqual(a.shape, b.shape, "The array shapes do not match.")
#         assert (a==b).all(), "The array values do not match."
# 
#     def assertArrayConstant(self, arr, const):
#         assert (arr==const).all(), "Some/All array values do not match the constant."
# 
#     def assertArraysAlmostEqual(self, a, b, threshold=1e-6, mean=False, doabs=False):
#         self.assertEqual(a.shape, b.shape, "The array shapes do not match.")
#         if a.shape == (0,):
#             return
#         if mean:
#             abserr = abs(a-b).mean()
#             oom = 0.5*(abs(a).mean()+abs(b).mean())
#         else:
#             abserr = abs(a-b).max()
#             oom = 0.5*(abs(a).max()+abs(b).max())
#         if doabs:
#             assert abserr <= threshold, "The absolute error is larger than the given threshold: %5.3e > %5.3e" % (abserr, threshold)
#         else:
#             relerr = abserr/oom
#             assert relerr <= threshold, "The relative error is larger than the given threshold: %5.3e > %5.3e" % (relerr, threshold)
# 
#     def assertArrayAlmostConstant(self, arr, const, relerr_threshold):
#         error = abs(arr-const).max()
#         oom = const
#         relerr = error/oom
#         assert relerr <= relerr_threshold, "The relative error is larger than the given threshold: %5.3e > %5.3e" % (relerr, relerr_threshold)
# 
#     def assertArrayAlmostZero(self, arr, abserr_threshold):
#         abserr = abs(arr).max()
#         assert abserr <= abserr_threshold, "The absolute error is larger than the given threshold: %5.3e > %5.3e" % (abserr, abserr_threshold)


# Path: molmod/test/test_vectors.py
import numpy as np
from molmod.test.common import BaseTestCase
from molmod import *

            cos = cosine(a+b,a-b)
            self.assertAlmostEqual(cos, 0)

    def test_angle(self):
        for i in range(100):
            a = np.random.normal(0,1,3)
            b = np.random.normal(0,1,3)
            alpha = angle(a,b)
            assert alpha>=0.0
            assert alpha<=np.pi
            alpha = angle(a,a)
            self.assertAlmostEqual(alpha, 0.0)
            alpha = angle(a,-a)
            self.assertAlmostEqual(alpha, np.pi)
            a /= np.linalg.norm(a)
            b /= np.linalg.norm(b)
            alpha = angle(a+b,a-b)
            self.assertAlmostEqual(alpha, np.pi/2)

    def test_random_unit(self):
        for i in range(100):
            self.assertAlmostEqual(np.linalg.norm(random_unit(10)), 1.0)
            self.assertAlmostEqual(np.linalg.norm(random_unit()), 1.0)
            self.assertEqual(len(random_unit()), 3)

    def test_random_orthonormal(self):
        for i in range(100):
            a = np.random.normal(0,1,3)
            b = random_orthonormal(a)
            self.assertAlmostEqual(np.dot(a,b), 0)

            self.assertAlmostEqual(np.linalg.norm(b), 1)