コード例 #1
0
def exercise_core(n=10, verbose=0):
    from libtbx.test_utils import approx_equal
    import random

    # make two random sets of sites please
    c = euler_angles_as_matrix([random.uniform(0, 360) for i in xrange(3)])
    set_1 = flex.vec3_double(flex.random_double(n * 3) * 10 - 2)
    set_2 = flex.vec3_double(flex.random_double(n * 3) * 10 - 2)
    set_3 = tuple(c) * set_2

    set_a = set_1.concatenate(set_2)
    set_b = set_1.concatenate(set_3)

    tmp = find_domain(set_a, set_b, initial_rms=0.02, match_radius=0.03, minimum_size=1)
    if verbose:
        tmp.show()
    assert len(tmp.matches) == 2
    assert approx_equal(tmp.matches[0][3], 0, eps=1e-5)
    assert approx_equal(tmp.matches[0][4], n, eps=1e-5)
コード例 #2
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def exercise_planarity():
  weights = flex.double([1,2,3,4])
  for points,norm in [([(1,1,0), (-1,-1,0), (-1,1,0), (1,-1,0)], (0,0,1)),
                      ([(0,1,1), (0,-1,-1), (0,-1,1), (0,1,-1)], (1,0,0)),
                      ([(1,0,1), (-1,0,-1), (-1,0,1), (1,0,-1)], (0,1,0)),
                      ([(1,1,-1), (-1,-1,1), (-1,1,-1), (1,-1,1)], (0,1,1))]:
    norm = col(norm)
    norm /= abs(norm)
    for i_trial in xrange(5):
      for i_pert in xrange(5):
        if (i_trial == 0 and i_pert == 0):
          sites = [col(v) for v in points]
          rot_norm = norm
        else:
          shift = col([random.uniform(-10,10) for i in xrange(3)])
          rot = sqr(euler_angles_as_matrix(
            [random.uniform(0,360) for i in xrange(3)]))
          rot_norm = rot * norm
          if (i_pert == 0):
            sites = [rot*col(v)+shift for v in points]
          else:
            sites = []
            for v in points:
              f = 0.1
              pert = col([(random.random()-0.5)*f for i in xrange(3)])
              sites.append(rot*col(v)+shift+pert)
        pl = geometry_restraints.planarity(sites=sites, weights=weights)
        n = col(pl.normal())
        gradients_analytical = pl.gradients()
        if (i_pert == 0):
          assert abs(abs(n.dot(rot_norm))-1) < 1.e-5
          assert approx_equal(pl.residual(), 0)
          for grad in gradients_analytical:
            assert approx_equal(grad, [0,0,0])
        assert approx_equal(pl.residual(), pl.lambda_min())
        residual_obj = residual_functor(
          restraint_type=geometry_restraints.planarity,
          weights=weights)
        gradients_finite = finite_differences(sites, residual_obj)
        assert approx_equal(gradients_finite, gradients_analytical)
コード例 #3
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ファイル: tst_index_synthetic.py プロジェクト: dials/dials 
def random_rotation():
  import random
  from scitbx.math import euler_angles_as_matrix
  return euler_angles_as_matrix([random.uniform(0,360) for i in xrange(3)])
コード例 #4
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def random_rotation():
  return euler_angles_as_matrix([random.uniform(0,360) for i in xrange(3)])
コード例 #5
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def random_rotation(angle_min=0, angle_max=360):
  import random
  from scitbx.math import euler_angles_as_matrix
  return euler_angles_as_matrix(
    [random.uniform(angle_min,angle_max) for i in xrange(3)])
コード例 #6
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def random_rotation(angle_min=0, angle_max=360):
  import random
  from scitbx.math import euler_angles_as_matrix
  return euler_angles_as_matrix(
    [random.uniform(angle_min,angle_max) for i in xrange(3)])
コード例 #7
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def random_rotation(angle_min=0, angle_max=360):
    angles = [random.uniform(angle_min, angle_max) for i in range(3)]
    print("Rotation: ", angles)
    return euler_angles_as_matrix(angles, deg=True)
コード例 #8
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ファイル: test_crystal_model.py プロジェクト: antonyvam/dxtbx 
def random_rotation():
    return euler_angles_as_matrix([random.uniform(0, 360) for i in range(3)])
コード例 #9
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def random_rotation():
    import random
    from scitbx.math import euler_angles_as_matrix
    return euler_angles_as_matrix([random.uniform(0, 360) for i in xrange(3)])