Changeset 21e71f1 in sasview for src/sas/sascalc

Timestamp:

Nov 21, 2018 8:39:24 AM (6 years ago)

Author:

Piotr Rozyczko <piotr.rozyczko@…>

Branches:

ESS_GUI, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc

Children:

f2e199e

Parents:

44c15fc (diff), fb39f28 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'ESS_GUI_project_save' into ESS_GUI

Location:

src/sas/sascalc

Files:

• dataloader/readers/cansas_reader.py (modified) (1 diff)
• fit/pagestate.py (modified) (3 diffs)
• dataloader/file_reader_base_class.py (modified) (1 diff)
• pr/fit/BumpsFitting.py (modified) (2 diffs)
• pr/fit/Loader.py (modified) (1 diff)
• pr/invertor.py (modified) (5 diffs)
• pr/num_term.py (modified) (3 diffs)

src/sas/sascalc/dataloader/readers/cansas_reader.py

@@ -184 +184 @@
             if CANSAS_NS.get(self.cansas_version).get("ns") == value.rsplit(" ")[0]:
                 return True
-        if ext == "svs":
+        if ext == ".svs":
             return True # Why is this required?
         # If we get to this point then file isn't valid CanSAS

src/sas/sascalc/fit/pagestate.py

@@ -1249 +1249 @@
 
             else:
-                self.call_back(format=ext)
+                #self.call_back(format=ext)
                 raise RuntimeError("%s is not a file" % path)
 
             # Return output consistent with the loader's api
             if len(output) == 0:
-                self.call_back(state=None, datainfo=None, format=ext)
+                #self.call_back(state=None, datainfo=None, format=ext)
                 return None
             else:
+                states=[]
                 for data in output:
                     # Call back to post the new state
@@ -1281 +1282 @@
                         if isinstance(data.run_name, dict):
                             # Note: key order in dict is not guaranteed, so sort
-                            name = data.run_name.keys()[0]
+                            name = list(data.run_name.keys())[0]
                         else:
                             name = data.run_name
@@ -1289 +1290 @@
                     state.version = fitstate.version
                     # store state in fitting
-                    self.call_back(state=state, datainfo=data, format=ext)
+                    #self.call_back(state=state, datainfo=data, format=ext)
                     self.state = state
+                    states.append(state)
                 simfitstate = self._parse_simfit_state(entry)
                 if simfitstate is not None:
-                    self.call_back(state=simfitstate)
-
-                return output
+                    #self.call_back(state=simfitstate)
+                    states.append(simfitstate)
+                return (output, states)
         except:
-            self.call_back(format=ext)
+            #self.call_back(format=ext)
             raise
 

src/sas/sascalc/dataloader/file_reader_base_class.py

@@ -276 +276 @@
                     dataset.xmax = np.max(dataset.qx_data)
                     dataset.ymin = np.min(dataset.qy_data)
-                    dataset.ymax = np.max(dataset.qx_data)
+                    dataset.ymax = np.max(dataset.qy_data)
 
     def format_unit(self, unit=None):

src/sas/sascalc/pr/fit/BumpsFitting.py

@@ -2 +2 @@
 BumpsFitting module runs the bumps optimizer.
 """
+from __future__ import division
+
 import os
 from datetime import timedelta, datetime
@@ -34 +36 @@
 class Progress(object):
     def __init__(self, history, max_step, pars, dof):
-        remaining_time = int(history.time[0]*(float(max_step)/history.step[0]-1))
+        remaining_time = int(history.time[0]*(max_step/history.step[0]-1))
         # Depending on the time remaining, either display the expected
         # time of completion, or the amount of time remaining.  Use precision

src/sas/sascalc/pr/fit/Loader.py

@@ +1 @@
+"""
+class Loader  to load any kind of file
+"""
+
 from __future__ import print_function
 
-# class Loader  to load any king of file
-#import wx
-#import string
 import numpy as np
 

src/sas/sascalc/pr/invertor.py

@@ -6 +6 @@
 FIXME: The way the Invertor interacts with its C component should be cleaned up
 """
+from __future__ import division
 
 import numpy as np
@@ -423 +424 @@
             A[i][j] = (Fourier transformed base function for point j)
 
-        We them choose a number of r-points, n_r, to evaluate the second
+        We then choose a number of r-points, n_r, to evaluate the second
         derivative of P(r) at. This is used as our regularization term.
         For a vector r of length n_r, the following n_r rows are set to ::
@@ -480 +481 @@
 
         # Perform the inversion (least square fit)
-        c, chi2, _, _ = lstsq(a, b)
+        c, chi2, _, _ = lstsq(a, b, rcond=-1)
         # Sanity check
         try:
@@ -503 +504 @@
         try:
             cov = np.linalg.pinv(inv_cov)
-            err = math.fabs(chi2 / float(npts - nfunc)) * cov
-        except:
+            err = math.fabs(chi2 / (npts - nfunc)) * cov
+        except Exception as exc:
             # We were not able to estimate the errors
             # Return an empty error matrix
@@ -548 +549 @@
         try:
             return estimator.num_terms(isquit_func)
-        except:
+        except Exception as exc:
             # If we fail, estimate alpha and return the default
             # number of terms

src/sas/sascalc/pr/num_term.py

@@ -1 @@
-from __future__ import print_function
+from __future__ import print_function, division
 
 import math
@@ -51 +51 @@
         osc = self.sort_osc()
         dv = len(osc)
-        med = float(dv) / 2.0
+        med = 0.5*dv
         odd = self.is_odd(dv)
         medi = 0
@@ -140 +140 @@
             nts = self.compare_err()
             div = len(nts)
-            tem = float(div) / 2.0
+            tem = 0.5*div
             if self.is_odd(div):
                 nt = nts[int(tem)]