Merge branch 'from_fiber-improvements' into 'development'
From fiber improvements See merge request damask/DAMASK!573
This commit is contained in:
Franz Roters
commit
53c345f4f1
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@ -1010,7 +1010,7 @@ class Rotation:
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def from_ODF(weights: np.ndarray,
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phi: np.ndarray,
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shape: Union[int, IntSequence] = None,
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degrees: bool = True,
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degrees: bool = False,
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fractions: bool = True,
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rng_seed: NumpyRngSeed = None) -> 'Rotation':
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"""
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@ -1063,7 +1063,7 @@ class Rotation:
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def from_spherical_component(center: 'Rotation',
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sigma: float,
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shape: Union[int, IntSequence] = None,
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degrees: bool = True,
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degrees: bool = False,
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rng_seed: NumpyRngSeed = None) -> 'Rotation':
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"""
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Initialize with samples from a Gaussian distribution around a given center.
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@ -1100,7 +1100,7 @@ class Rotation:
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sample: IntSequence,
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sigma: float = 0.0,
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shape: Union[int, IntSequence] = None,
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degrees: bool = True,
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degrees: bool = False,
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rng_seed: NumpyRngSeed = None):
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"""
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Initialize with samples from a Gaussian distribution around a given direction.
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@ -1108,9 +1108,11 @@ class Rotation:
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Parameters
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----------
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crystal : numpy.ndarray, shape (2)
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Polar coordinates (phi from x, theta from z) of fiber direction in crystal frame.
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Polar coordinates (polar angle θ from [0 0 1], azimuthal angle φ from [1 0 0])
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of fiber direction in crystal frame.
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sample : numpy.ndarray, shape (2)
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Polar coordinates (phi from x, theta from z) of fiber direction in sample frame.
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Polar coordinates (polar angle θ from z, azimuthal angle φ from x)
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of fiber direction in sample frame.
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sigma : float, optional
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Standard deviation of (Gaussian) misorientation distribution.
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Defaults to 0.
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@ -1122,13 +1124,39 @@ class Rotation:
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A seed to initialize the BitGenerator.
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Defaults to None, i.e. unpredictable entropy will be pulled from the OS.
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Notes
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-----
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The crystal direction for (θ=0,φ=0) is [0 0 1],
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the sample direction for (θ=0,φ=0) is z.
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Polar coordinates follow the ISO 80000-2:2019 convention
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typically used in physics.
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See https://en.wikipedia.org/wiki/Spherical_coordinate_system.
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Ranges 0≤θ≤π and 0≤φ≤2π give a unique set of coordinates.
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Examples
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--------
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Create an ideal α-fiber texture (<1 1 0> ǀǀ RD=x) consisting of
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200 orientations:
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>>> import damask
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>>> import numpy as np
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>>> alpha = damask.Rotation.from_fiber_component([np.pi/4.,0.],[np.pi/2.,0.],shape=200)
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Create an ideal γ-fiber texture (<1 1 1> ǀǀ ND=z) consisting of
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100 orientations:
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>>> import damask
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>>> gamma = damask.Rotation.from_fiber_component([54.7,45.0],[0.,0.],shape=100,degrees=True)
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"""
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rng = np.random.default_rng(rng_seed)
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sigma_,alpha_,beta_ = (np.radians(coordinate) for coordinate in (sigma,crystal,sample)) if degrees else \
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sigma_,alpha,beta = (np.radians(coordinate) for coordinate in (sigma,crystal,sample)) if degrees else \
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map(np.array, (sigma,crystal,sample))
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d_cr = np.array([np.sin(alpha_[0])*np.cos(alpha_[1]), np.sin(alpha_[0])*np.sin(alpha_[1]), np.cos(alpha_[0])])
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d_lab = np.array([np.sin( beta_[0])*np.cos( beta_[1]), np.sin( beta_[0])*np.sin( beta_[1]), np.cos( beta_[0])])
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d_cr = np.array([np.sin(alpha[0])*np.cos(alpha[1]), np.sin(alpha[0])*np.sin(alpha[1]), np.cos(alpha[0])])
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d_lab = np.array([np.sin( beta[0])*np.cos( beta[1]), np.sin( beta[0])*np.sin( beta[1]), np.cos( beta[0])])
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ax_align = np.append(np.cross(d_lab,d_cr), np.arccos(np.dot(d_lab,d_cr)))
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if np.isclose(ax_align[3],0.0): ax_align[:3] = np.array([1,0,0])
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R_align = Rotation.from_axis_angle(ax_align if ax_align[3] > 0.0 else -ax_align,normalize=True) # rotate fiber axis from sample to crystal frame
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@ -158,6 +158,13 @@ class TestOrientation:
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sigma=0.0,shape=None,rng_seed=0,lattice='cI').quaternion
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== r.quaternion)
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@pytest.mark.parametrize('crystal,sample,direction,color',[([np.pi/4,0],[np.pi/2,0],[1,0,0],[0,1,0]),
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([np.arccos(3**(-.5)),np.pi/4,0],[0,0],[0,0,1],[0,0,1])])
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def test_fiber_IPF(self,crystal,sample,direction,color):
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fiber = Orientation.from_fiber_component(crystal=crystal,sample=sample,family='cubic',shape=200)
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print(np.allclose(fiber.IPF_color(direction),color))
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@pytest.mark.parametrize('kwargs',[
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dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4.5,beta=np.pi/3.5,gamma=np.pi/2.5),
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dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3.5),
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@ -1061,7 +1061,7 @@ class TestRotation:
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p = []
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for run in range(5):
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c = Rotation.from_random()
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o = Rotation.from_spherical_component(c,sigma,shape)
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o = Rotation.from_spherical_component(c,sigma,shape,degrees=True)
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_, angles = c.misorientation(o).as_axis_angle(pair=True,degrees=True)
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angles[::2] *= -1 # flip angle for every second to symmetrize distribution
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@ -1077,8 +1077,8 @@ class TestRotation:
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def test_from_fiber_component(self,sigma,shape):
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p = []
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for run in range(5):
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alpha = np.random.random()*2*np.pi,np.arccos(np.random.random())
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beta = np.random.random()*2*np.pi,np.arccos(np.random.random())
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alpha = np.arccos(np.random.random()),np.random.random()*2*np.pi
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beta = np.arccos(np.random.random()),np.random.random()*2*np.pi
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f_in_C = np.array([np.sin(alpha[0])*np.cos(alpha[1]), np.sin(alpha[0])*np.sin(alpha[1]), np.cos(alpha[0])])
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f_in_S = np.array([np.sin( beta[0])*np.cos( beta[1]), np.sin( beta[0])*np.sin( beta[1]), np.cos( beta[0])])
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