configuration for saving sample logs added when saving histogram,load…

… ub from nexus changes and related tests added

src/shiver/configuration_template.ini

@@ -12,5 +12,11 @@ display_title = full
 #the flag (bool: True/False) indicates the plot scale (logarithmic or not)
 logarithmic_intensity = False
 
+[main_tab.sample_logs]
+#the flag (bool = True/False) indicates whether the data are saved as sample logs in the MDHistogram workspace
+save_instrument = True
+save_sample = True
+save_logs = True
+
 [global.other]
 help_url = https://neutrons.github.io/Shiver/GUI/

src/shiver/models/convert_dgs_to_single_mde.py

@@ -36,7 +36,6 @@
     FileAction,
 )
 from mantid.kernel import (
-    config,
     Direction,
     Property,
     StringArrayProperty,
@@ -247,7 +246,6 @@ def validateInputs(self):
         return issues
 
     def PyExec(self):  # pylint: disable=too-many-branches
-        config["default.facility"] = "SNS"
         # get properties
         data = self.getProperty("InputWorkspace").value
         data_m = self.getProperty("InputMonitorWorkspace").value

src/shiver/models/histogram.py

@@ -18,7 +18,7 @@
     SpaceGroupFactory,
     PointGroupFactory,
 )
-
+from shiver.configuration import get_data
 from shiver.models.generate import GenerateModel
 from shiver.models.polarized import PolarizedModel
 
@@ -175,8 +175,19 @@ def rename(self, old_name, new_name):
 
     def save(self, ws_name, filename):
         """Save the workspace to Nexus file."""
-        save_params = {"SaveInstrument": False, "SaveSample": False, "SaveLogs": False}
-        SaveMD(ws_name, filename, **save_params)
+        save_instrument = get_data("main_tab.sample_logs", "save_instrument")
+        save_sample = get_data("main_tab.sample_logs", "save_sample")
+        save_logs = get_data("main_tab.sample_logs", "save_logs")
+
+        if isinstance(save_instrument, bool) and isinstance(save_sample, bool) and isinstance(save_logs, bool):
+            save_params = {"SaveInstrument": save_instrument, "SaveSample": save_sample, "SaveLogs": save_logs}
+            print("here", save_instrument, save_sample, save_logs)
+            SaveMD(ws_name, filename, **save_params)
+        else:
+            if self.error_callback:
+                err = "Save_logs in configuration file has invalid input. Please update it and try again."
+                logger.error(err)
+                self.error_callback(err)
 
     def save_to_ascii(
         self,

src/shiver/models/sample.py

@@ -12,6 +12,7 @@
     LoadNexusProcessed,
     LoadMD,
 )
+from mantid.api import AlgorithmManager
 from mantid.geometry import OrientedLattice
 from mantid.kernel import Logger
 from mantidqtinterfaces.DGSPlanner.LoadNexusUB import LoadNexusUB
@@ -164,11 +165,11 @@ def load_nexus_processed(self, filename):
     def is_nexus_processed(self, filename):
         """Return true if the file is NexusProcessed
         - can be loaded through LoadNexusProcessed, else false"""
-        try:
-            _ = LoadNexusProcessed(filename)
-            return True
-        except RuntimeError:
-            return False
+
+        alg = AlgorithmManager.create("Load")
+        alg.initialize()
+        alg.setProperty("Filename", filename)
+        return alg.getProperty("LoaderName").value == "LoadNexusProcessed"
 
     def load_nexus_ub(self, filename):
         """Mantid SetUB with Nexus file"""

tests/models/test_generatemde.py

@@ -1,7 +1,14 @@
 """Tests for the ConvertDGSToSingleMDE algorithm"""
 import os
 from pytest import approx, raises
-from mantid.simpleapi import (  # pylint: disable=no-name-in-module
+from mantid.kernel import amend_config
+
+# Need to import the new algorithms so they are registered with mantid
+import shiver.models.convert_dgs_to_single_mde  # noqa: F401, E402 pylint: disable=unused-import, wrong-import-order
+import shiver.models.generate_dgs_mde  # noqa: F401, E402 pylint: disable=unused-import, wrong-import-order
+
+from mantid.simpleapi import (  # pylint: disable=no-name-in-module, ungrouped-imports
+    ConfigService,
     ConvertDGSToSingleMDE,
     GenerateDGSMDE,
     MergeMD,
@@ -142,6 +149,34 @@ def test_convert_dgs_to_single_mde_calculate_t0_ei():
     assert md1.getExperimentInfo(0).run()["Ei"].value == 25
 
 
+def test_convert_dgs_to_single_mde_facility():
+    """Test for ConvertDGSToSingleMDE facility"""
+
+    with amend_config(facility="HFIR"):
+        facility = ConfigService.getFacility().name()
+        assert facility == "HFIR"
+        print("facility", facility)
+        data_files = [
+            "HYS_178921.nxs.h5",
+            "HYS_178922.nxs.h5",
+            "HYS_178923.nxs.h5",
+            "HYS_178924.nxs.h5",
+            "HYS_178925.nxs.h5",
+            "HYS_178926.nxs.h5",
+        ]
+
+        raw_data_folder = os.path.join(os.path.dirname(__file__), "../data/raw")
+
+        _ = GenerateDGSMDE(
+            Filenames=",".join(os.path.join(raw_data_folder, data_file) for data_file in data_files),
+            Ei=25.0,
+            T0=112.0,
+            TimeIndependentBackground="Default",
+        )
+        print("facility", facility)
+        assert ConfigService.getFacility().name() == "HFIR"
+
+
 def test_convert_dgs_to_single_mde_merged():
     """Test for merging results and compare to existing data ConvertDGSToSingleMDE"""
 
@@ -257,17 +292,17 @@ def test_generate_dgs_mde_seq():
 
     LoadNexusMonitors(Filename=datafile, OutputWorkspace="__MonWS")
     e_i, t_0 = GetEiT0atSNS(MonitorWorkspace="__MonWS", IncidentEnergyGuess="35")
-
-    DgsReduction(
-        SampleInputWorkspace="data",
-        SampleInputMonitorWorkspace="__MonWS",
-        IncidentEnergyGuess=e_i,
-        UseIncidentEnergyGuess=True,
-        TimeZeroGuess=t_0,
-        EnergyTransferRange="-17.5,1,31.5",
-        SofPhiEIsDistribution=False,
-        OutputWorkspace="dgs",
-    )
+    with amend_config(facility="SNS"):
+        DgsReduction(
+            SampleInputWorkspace="data",
+            SampleInputMonitorWorkspace="__MonWS",
+            IncidentEnergyGuess=e_i,
+            UseIncidentEnergyGuess=True,
+            TimeZeroGuess=t_0,
+            EnergyTransferRange="-17.5,1,31.5",
+            SofPhiEIsDistribution=False,
+            OutputWorkspace="dgs",
+        )
     CropWorkspace(InputWorkspace="dgs", OutputWorkspace="dgs", XMin="-17.5", XMax="31.5")
     min_values, max_values = ConvertToMDMinMaxGlobal(
         InputWorkspace="dgs", QDimensions="Q3D", dEAnalysisMode="Direct", Q3DFrames="Q"