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Remove test function

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usov_i 2023-01-25 21:58:14 +01:00
parent 1e3abce5fc
commit cda8896599
1 changed files with 0 additions and 79 deletions
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79
pyzebra/xtal.py
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@ -281,85 +281,6 @@ def fixdnu(wave, z1, ch2, ph2, nu):
return ch, ph, ga, om
# for test run:
# angtohkl(wave=1.18,ddist=616,gammad=48.66,om=-22.80,ch=0,ph=0,nud=0,x=128,y=64)
def angtohkl(wave, ddist, gammad, om, ch, ph, nud, x, y):
"""finds hkl-indices of a reflection from its position (x,y,angles) at the 2d-detector
Args:
gammad, om, ch, ph, nud, xobs, yobs
Returns:
"""
# define ub matrix if testing angtohkl(wave=1.18,ddist=616,gammad=48.66,om=-22.80,ch=0,ph=0,nud=0,x=128,y=64) against f90:
# ub = np.array([-0.0178803,-0.0749231,0.0282804,-0.0070082,-0.0368001,-0.0577467,0.1609116,-0.0099281,0.0006274]).reshape(3,3)
ub = np.array(
[0.04489, 0.02045, -0.2334, -0.06447, 0.00129, -0.16356, -0.00328, 0.2542, 0.0196]
).reshape(3, 3)
print(
"The input values are: ga=",
gammad,
", om=",
om,
", ch=",
ch,
", ph=",
ph,
", nu=",
nud,
", x=",
x,
", y=",
y,
)
ga, nu = det2pol(ddist, gammad, nud, x, y)
print(
"The calculated actual angles are: ga=",
ga,
", om=",
om,
", ch=",
ch,
", ph=",
ph,
", nu=",
nu,
)
z1 = z1frmd(wave, ga, om, ch, ph, nu)
print("The diffraction vector is:", z1[0], z1[1], z1[2])
ubinv = np.linalg.inv(ub)
h = ubinv[0, 0] * z1[0] + ubinv[0, 1] * z1[1] + ubinv[0, 2] * z1[2]
k = ubinv[1, 0] * z1[0] + ubinv[1, 1] * z1[1] + ubinv[1, 2] * z1[2]
l = ubinv[2, 0] * z1[0] + ubinv[2, 1] * z1[1] + ubinv[2, 2] * z1[2]
print("The Miller indexes are:", h, k, l)
ch2, ph2 = eqchph(z1)
ch, ph, ga, om = fixdnu(wave, z1, ch2, ph2, nu)
print(
"Bisecting angles to put reflection into the detector center: ga=",
ga,
", om=",
om,
", ch=",
ch,
", ph=",
ph,
", nu=",
nu,
)
def ang2hkl(wave, ddist, gammad, om, ch, ph, nud, ub_inv, x, y):
"""Calculate hkl-indices of a reflection from its position (x,y,angles) at the 2d-detector"""
ga, nu = det2pol(ddist, gammad, nud, x, y)