zebra/pyzebra
3
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Add ang2hkl function

Browse Source 
This function is based on angtohkl, but doesn't include prints
This commit is contained in:
usov_i 2020-03-31 14:07:13 +02:00
parent f2fad95339
commit d9fcffe42e
1 changed files with 11 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
pyzebra/xtal.py
View File

@ -327,7 +327,15 @@ def angtohkl(wave,ddist,gammad,om,ch,ph,nud,x,y):
print('Bisecting angles to put reflection into the detector center: ga=', ga, ', om=', om, ', ch=', ch, ', ph=', ph, ', nu=', 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, 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)
z1 = z1frmd(wave, ga, om, ch, ph, nu)
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]
return h, k, l