update template

Jhsmit · Oct 18, 2021 · 4829722 · 4829722
1 parent 3990d67
commit 4829722
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/templates/04_SecB_batch_fit_and_checkpoint.py b/templates/04_SecB_batch_fit_and_checkpoint.py
@@ -12,7 +12,7 @@
 import numpy as np
 from matplotlib import cm
 
-from pyhdx.fileIO import csv_to_protein, read_dynamx, dataframe_to_file
+from pyhdx.fileIO import csv_to_protein, read_dynamx, dataframe_to_file, save_fitresult
 from pyhdx.fitting import fit_gibbs_global_batch
 from pyhdx.fitting_torch import CheckPoint
 from pyhdx.models import PeptideMasterTable, HDXMeasurement, HDXMeasurementSet
@@ -71,3 +71,6 @@
 
 #Machine readable output
 result.to_file(output_dir / 'Batch_fit_result.csv', fmt='csv')
+
+#Save full fitresult
+save_fitresult(output_dir / 'SecB_tetramer_dimer_batch', result)