Update .#calculate_HKL_range.py calculate_HKL_range.py

.#calculate_HKL_range.py

-rwp@diffuse.17553:1554727402
\ No newline at end of file

calculate_HKL_range.py

@@ -2,13 +2,38 @@ Uproj = [1, 0, 0]
 Vproj = [0, 1, 0]
 Wproj = [0, 0, 1]
 
-wavelenght = 1.488
-
-ws=mtd['ws']
+ws=mtd['data']
 
+wavelength = 1.488
 
 ################################################################################
+import numpy as np
+
+s1 = np.deg2rad(ws.getExperimentInfo(0).run().getProperty('s1').value)
+polar = np.deg2rad(ws.getExperimentInfo(0).run().getProperty('twotheta').value)
+azim = np.deg2rad(ws.getExperimentInfo(0).run().getProperty('azimuthal').value)
+UB = ws.getExperimentInfo(0).sample().getOrientedLattice().getUB()
+
+k = 1/wavelength
+
+qlab = np.vstack((np.sin(polar)*np.cos(azim),
+                  np.sin(polar)*np.sin(azim),
+                  np.cos(polar) - 1)).T * -k
+
+W = np.eye(3)
+W[:,0] = Uproj
+W[:,1] = Vproj
+W[:,2] = Wproj
+
+UBW = np.dot(UB, W)
+
+
+Umin = 
+
+for rot in s1:
+    R = np.array([[ np.cos(rot), 0, np.sin(rot)],
+                  [           0, 1,           0],
+                  [-np.sin(rot), 0, np.cos(rot)]])
+    RUBW = np.dot(R,UBW)
+    HKL=np.dot(np.linalg.inv(RUBW),qlab.T)
 
-s1 = ws.getExperimentInfo(0).run().getProperty('s1').value
-twotheta = ws.getExperimentInfo(0).run().getProperty('twotheta').value
-azimuthal = ws.getExperimentInfo(0).run().getProperty('azimuthal').value