From cda8896599011d806832e7285f0896e36ba558b6 Mon Sep 17 00:00:00 2001 From: Ivan Usov Date: Wed, 25 Jan 2023 21:58:14 +0100 Subject: [PATCH] Remove test function --- pyzebra/xtal.py | 79 ------------------------------------------------- 1 file changed, 79 deletions(-) diff --git a/pyzebra/xtal.py b/pyzebra/xtal.py index b1d7592..0aeabd3 100644 --- a/pyzebra/xtal.py +++ b/pyzebra/xtal.py @@ -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)