retested with more enery points

fitcc/frsv.cc

@@ -734,7 +734,7 @@ int main(int argc, char ** argv)  {
     }
 
 
-    for(int iter = 0; iter<1000; iter++) {
+    for(int iter = 0; iter<20; iter++) {
 
       pb.settozero(grad);
       

nonregressions/volumes/test2/batch_extraction_esynth1.py

@@ -11,20 +11,15 @@ import os
 
 
 def main():
-
     peaks_shifts = np.array(
                      [  6471.983002,
                         6471.318152,
                         6470.612314,
                         6471.217828,
                      ])
-
     Enominal = 6470.6
-
     peaks_shifts -= Enominal
-
     datadir =  "/data/scisofttmp/mirone/Loic1/data/"
-
     filter_path =  datadir + "../mask.h5:/filter"
     filename_template = "HC-D_2Dmap_%04d"
     data_path_template =  datadir + filename_template + ".nxs:/root.spyc.config1d_RIXS_0024/scan_data/data_03"
@@ -32,6 +27,7 @@ def main():
 
     # 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_exp_grid  = h5py.File( datadir +(filename_template%1)+".nxs" ,"r")["/root.spyc.config1d_RIXS_0024/scan_data/actuator_1_1"][()]
     
@@ -57,8 +53,8 @@ def main():
     }
 
 
-    # use_custom_components = None
-    use_custom_components = "components.h5"
+    use_custom_components = None
+    # use_custom_components = "components.h5"
     
     tools_sequencer(  peaks_shifts          = peaks_shifts          ,
                       datadir               = datadir               ,

nonregressions/volumes/test2/extract_components.py

@@ -4,10 +4,10 @@ from pylab import *
 import json
 
 
-NC = 3
+NC = 4
 model = NMF(n_components=NC, init='random', random_state=0, max_iter = 200)
 
-d=File("solution.h5","r") ["data"][()]
+d=File("solution_all_spectra.h5","r") ["data"][()]
 
 d.shape = 9,-1