tests OK

nonregressions/volumes/test2/batch_extraction_esynth1.py

@@ -7,18 +7,14 @@ import json
 BATCH_PARALLELISM = 1
 
 import os
-
-
-
 def main():
     peaks_shifts = np.array(
                      [  6471.983002,
                         6471.318152,
                         6470.612314,
                         6471.217828,
-                     ])
-    Enominal = 6470.6
-    peaks_shifts -= Enominal
+                     ]) - 6470.6
+
     datadir =  "/data/scisofttmp/mirone/Loic1/data/"
     filter_path =  datadir + "../mask.h5:/filter"
     filename_template = "HC-D_2Dmap_%04d"
@@ -26,13 +22,14 @@ def main():
     monitor_path_template = datadir + filename_template +"_monitor.hd5:/monitor"
 
     # energy_custom_grid = np.array([6746.0,6754.0,6755.5,6756.2,6757.5,6759.3,6762.5,6770.0,6790.5])
-    energy_custom_grid = np.array([6744.0,6754.0,6755.5,6756.2,6757.5,6759.3,6762.5,6770.0,6792])
-    # energy_custom_grid = np.array([6744.0,6754.0,    6754.8,   6755.5,6756.2,6757.5,     6758.63,         6759.3,6762.5,6770.0,6792])
+    
+    # energy_custom_grid = np.array([6744.0,6754.0,6755.5,6756.2,6757.5,6759.3,6762.5,6770.0,6792])
+    
+    energy_custom_grid = np.array([6744.0,6754.0,    6754.8,   6755.5,6756.2,6757.5,     6758.63,         6759.3,6762.5,6770.0,6792])
 
     energy_exp_grid  = h5py.File( datadir +(filename_template%1)+".nxs" ,"r")["/root.spyc.config1d_RIXS_0024/scan_data/actuator_1_1"][()]
     
     scan_interval   =  [1,476]   # from 1 to 475 included 
-    scans_to_use_for_roi = list(range(1,20))
 
     Ydim = 25
     Zdim = 19
@@ -49,12 +46,15 @@ def main():
         "do_step_sample_extraction":             False,
         "do_step_scalar_products":               False, 
         "do_step_interpolation_coefficients":    True,
-        "do_step_finalise_for_fit":              True 
+        "do_step_finalise_for_fit":              True
     }
 
 
     use_custom_components = None
     # use_custom_components = "components.h5"
+
+    scans_to_use_for_roi = list(range(1,20))
+
     
     tools_sequencer(  peaks_shifts          = peaks_shifts          ,
                       datadir               = datadir               ,

nonregressions/volumes/test2/extract_components.py

@@ -9,7 +9,7 @@ model = NMF(n_components=NC, init='random', random_state=0, max_iter = 200)
 
 d=File("solution_all_spectra.h5","r") ["data"][()]
 
-d.shape = 9,-1
+d.shape = d.shape[0],-1
 
 
 W = model.fit_transform(d.T)