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improved numerical stability for corner cases

This commit is contained in:
Martin Diehl 2020-04-08 11:52:26 +02:00
parent ccf62ede52
commit 4e06e9a410
1 changed files with 12 additions and 10 deletions
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22
python/damask/_Lambert.py
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@ -51,19 +51,20 @@ def cube_to_ball(cube):
https://doi.org/10.1088/0965-0393/22/7/075013 https://doi.org/10.1088/0965-0393/22/7/075013
""" """
if np.abs(np.max(cube))>np.pi**(2./3.) * 0.5: cube_ = np.clip(cube,None,np.pi**(2./3.) * 0.5) if np.isclose(np.abs(np.max(cube)),np.pi**(2./3.) * 0.5) else cube
if np.abs(np.max(cube_))>np.pi**(2./3.) * 0.5:
raise ValueError raise ValueError
# transform to the sphere grid via the curved square, and intercept the zero point # transform to the sphere grid via the curved square, and intercept the zero point
if np.allclose(cube,0.0,rtol=0.0,atol=1.0e-300): if np.allclose(cube_,0.0,rtol=0.0,atol=1.0e-16):
ball = np.zeros(3) ball = np.zeros(3)
else: else:
# get pyramide and scale by grid parameter ratio # get pyramide and scale by grid parameter ratio
p = _get_order(cube) p = _get_order(cube_)
XYZ = cube[p[0]] * sc XYZ = cube_[p[0]] * sc
# intercept all the points along the z-axis # intercept all the points along the z-axis
if np.allclose(XYZ[0:2],0.0,rtol=0.0,atol=1.0e-300): if np.allclose(XYZ[0:2],0.0,rtol=0.0,atol=1.0e-16):
ball = np.array([0.0, 0.0, np.sqrt(6.0/np.pi) * XYZ[2]]) ball = np.array([0.0, 0.0, np.sqrt(6.0/np.pi) * XYZ[2]])
else: else:
order = [1,0] if np.abs(XYZ[1]) <= np.abs(XYZ[0]) else [0,1] order = [1,0] if np.abs(XYZ[1]) <= np.abs(XYZ[0]) else [0,1]
@ -102,15 +103,16 @@ def ball_to_cube(ball):
https://doi.org/10.1088/0965-0393/22/7/075013 https://doi.org/10.1088/0965-0393/22/7/075013
""" """
rs = np.linalg.norm(ball) ball_ = ball/np.linalg.norm(ball) if np.isclose(np.linalg.norm(ball),R1) else ball
rs = np.linalg.norm(ball_)
if rs > R1: if rs > R1:
raise ValueError raise ValueError
if np.allclose(ball,0.0,rtol=0.0,atol=1.0e-300): if np.allclose(ball_,0.0,rtol=0.0,atol=1.0e-16):
cube = np.zeros(3) cube = np.zeros(3)
else: else:
p = _get_order(ball) p = _get_order(ball_)
xyz3 = ball[p[0]] xyz3 = ball_[p[0]]
# inverse M_3 # inverse M_3
xyz2 = xyz3[0:2] * np.sqrt( 2.0*rs/(rs+np.abs(xyz3[2])) ) xyz2 = xyz3[0:2] * np.sqrt( 2.0*rs/(rs+np.abs(xyz3[2])) )
@ -118,7 +120,7 @@ def ball_to_cube(ball):
# inverse M_2 # inverse M_2
qxy = np.sum(xyz2**2) qxy = np.sum(xyz2**2)
if np.isclose(qxy,0.0,rtol=0.0,atol=1.0e-300): if np.isclose(qxy,0.0,rtol=0.0,atol=1.0e-16):
Tinv = np.zeros(2) Tinv = np.zeros(2)
else: else:
q2 = qxy + np.max(np.abs(xyz2))**2 q2 = qxy + np.max(np.abs(xyz2))**2