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njit z4frgn and z1frnb functions

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This commit is contained in:
usov_i 2023-01-25 21:56:14 +01:00
parent dd262ab6cd
commit 1e3abce5fc
2 changed files with 7 additions and 8 deletions
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6
pyzebra/h5.py
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@ -111,9 +111,9 @@ def read_detector_data(filepath, cami_meta=None):
if len(scan["gamma"]) == 1: if len(scan["gamma"]) == 1:
scan["gamma"] = np.ones(n) * scan["gamma"] scan["gamma"] = np.ones(n) * scan["gamma"]
scan["twotheta"] = np.ones(n) * scan["twotheta"] scan["twotheta"] = np.ones(n) * scan["twotheta"]
scan["nu"] = h5f["/entry1/ZEBRA/area_detector2/tilt_angle"][:1] scan["nu"] = h5f["/entry1/ZEBRA/area_detector2/tilt_angle"][0]
scan["ddist"] = h5f["/entry1/ZEBRA/area_detector2/distance"][:1] scan["ddist"] = h5f["/entry1/ZEBRA/area_detector2/distance"][0]
scan["wave"] = h5f["/entry1/ZEBRA/monochromator/wavelength"][:1] scan["wave"] = h5f["/entry1/ZEBRA/monochromator/wavelength"][0]
scan["chi"] = h5f["/entry1/sample/chi"][:] scan["chi"] = h5f["/entry1/sample/chi"][:]
if len(scan["chi"]) == 1: if len(scan["chi"]) == 1:
scan["chi"] = np.ones(n) * scan["chi"] scan["chi"] = np.ones(n) * scan["chi"]

9
pyzebra/xtal.py
View File

@ -4,6 +4,7 @@ from numba import njit
pi_r = 180 / np.pi pi_r = 180 / np.pi
@njit(cache=True)
def z4frgn(wave, ga, nu): def z4frgn(wave, ga, nu):
"""CALCULATES DIFFRACTION VECTOR IN LAB SYSTEM FROM GA AND NU """CALCULATES DIFFRACTION VECTOR IN LAB SYSTEM FROM GA AND NU
@ -15,12 +16,9 @@ def z4frgn(wave, ga, nu):
""" """
ga_r = ga / pi_r ga_r = ga / pi_r
nu_r = nu / pi_r nu_r = nu / pi_r
z4 = [0.0, 0.0, 0.0] z4 = [np.sin(ga_r) * np.cos(nu_r), np.cos(ga_r) * np.cos(nu_r) - 1.0, np.sin(nu_r)]
z4[0] = (np.sin(ga_r) * np.cos(nu_r)) / wave
z4[1] = (np.cos(ga_r) * np.cos(nu_r) - 1.0) / wave
z4[2] = (np.sin(nu_r)) / wave
return z4 return np.array(z4) / wave
@njit(cache=True) @njit(cache=True)
@ -45,6 +43,7 @@ def phimat(phi):
return dum return dum
@njit(cache=True)
def z1frnb(wave, ga, nu, om): def z1frnb(wave, ga, nu, om):
"""CALCULATE DIFFRACTION VECTOR Z1 FROM GA, OM, NU, ASSUMING CH=PH=0 """CALCULATE DIFFRACTION VECTOR Z1 FROM GA, OM, NU, ASSUMING CH=PH=0