Config 'reduction.output.useEffectiveInstrument' now allows the reduc…

…ed-instrument substitution to be turned off. That is, not just for output format.

src/snapred/backend/data/LocalDataService.py

@@ -661,11 +661,9 @@ def writeReductionData(self, record: ReductionRecord):
         #    instrument-I/O implementation (for non XML-based instruments).
         #
         # 2) For SNAPRed internal use: 
-        #        if `reduction.output.useLegacyInstrument` is set in "application.yml"
-        #    output workspaces including an instrument with embedded instrument XML,
-        #    will then be saved using `SaveNexus`.  This case is retained to allow some
-        #    flexibility in what reduction data SNAPRed saves.  However, please note that this case cannot
-        #    correctly save and restore workspaces with the effective-instrument (reduced) geometry as in (1).
+        #        if `reduction.output.useEffectiveInstrument` is set to false in "application.yml",
+        #    output workspaces will be saved without converting their instruments to the reduced form.
+        #    This case is retained to allow some flexibility in what specifically is saved with the reduction data.
         #
 
         runNumber, useLiteMode, timestamp = record.runNumber, record.useLiteMode, record.timestamp
@@ -678,13 +676,14 @@ def writeReductionData(self, record: ReductionRecord):
             # WARNING: `writeReductionRecord` must be called before `writeReductionData`.
             raise RuntimeError(f"reduction version directories {filePath.parent} do not exist")
 
-        useLegacyInstrument = Config["reduction.output.useLegacyInstrument"]
+        useEffectiveInstrument = Config["reduction.output.useEffectiveInstrument"]
 
         for ws in record.workspaceNames:
             # Append workspaces to hdf5 file, in order of the `workspaces` list
 
             if ws.tokens("workspaceType") == wngt.REDUCTION_PIXEL_MASK:
-                # The mask workspace always uses the legacy instrument.
+
+                # The mask workspace always uses the non-reduced instrument.
                 self.mantidSnapper.SaveNexus(
                     f"Append workspace '{ws}' to reduction output",
                     InputWorkspace=ws,
@@ -697,7 +696,7 @@ def writeReductionData(self, record: ReductionRecord):
                 maskFilename = ws + ".h5"
                 self.writePixelMask(filePath.parent, Path(maskFilename), ws)
             else:
-                if not useLegacyInstrument:            
+                if useEffectiveInstrument:            
                     self.mantidSnapper.SaveNexusESS(
                         f"Append workspace '{ws}' to reduction output",
                         InputWorkspace=ws,

src/snapred/backend/recipe/ReductionRecipe.py

@@ -11,6 +11,7 @@
 from snapred.backend.recipe.ReductionGroupProcessingRecipe import ReductionGroupProcessingRecipe
 from snapred.meta.mantid.WorkspaceNameGenerator import ValueFormatter as wnvf
 from snapred.meta.mantid.WorkspaceNameGenerator import WorkspaceNameGenerator as wng
+from snapred.meta.Config import Config
 
 logger = snapredLogger.getLogger(__name__)
 
@@ -276,11 +277,12 @@ def execute(self):
             self._cloneIntermediateWorkspace(sampleClone, f"sample_ApplyNormalization_{groupingIndex}")
 
             # 5. Replace the instrument with the effective instrument for this grouping
-            self._applyRecipe(
-                EffectiveInstrumentRecipe,
-                self.ingredients.effectiveInstrument(groupingIndex),
-                inputWorkspace=sampleClone,
-            )
+            if Config["reduction.output.useEffectiveInstrument"]:
+                self._applyRecipe(
+                    EffectiveInstrumentRecipe,
+                    self.ingredients.effectiveInstrument(groupingIndex),
+                    inputWorkspace=sampleClone,
+                )
 
             # Cleanup
             outputs.append(sampleClone)

src/snapred/resources/application.yml

@@ -99,8 +99,8 @@ calibration:
 reduction:
   output:
     extension: .nxs
-    # set the following flag if saving non-reduced instruments
-    useLegacyInstrument: false
+    # convert the instrument for the output workspaces into the reduced form
+    useEffectiveInstrument: true
 
 mantid:
   workspace:

tests/resources/application.yml

@@ -106,8 +106,8 @@ calibration:
 reduction:
   output:
     extension: .nxs
-    # set the following flag if saving non-reduced instruments
-    useLegacyInstrument: true
+    # convert the instrument for the output workspaces into the reduced form
+    useEffectiveInstrument: true
 
 mantid:
     workspace:

tests/unit/backend/data/test_LocalDataService.py

@@ -1587,7 +1587,7 @@ def _createWorkspaces(wss: List[WorkspaceName]):
         mask = mtd.unique_hidden_name()
         createCompatibleMask(mask, src)
 
-        if not Config["reduction.output.useLegacyInstrument"]:
+        if Config["reduction.output.useEffectiveInstrument"]:
             # Convert the source workspace's instrument to the reduced form:
             #   * no monitors;
             #   * only one bank of detectors;
@@ -1612,15 +1612,12 @@ def _createWorkspaces(wss: List[WorkspaceName]):
                 l2s.append(l2)
                 twoThetas.append(twoTheta)
                 azimuths.append(azimuth)
-
-            ls2 = np.rad2deg(l2s)
-            twoThetas = np.rad2deg(twoThetas)
-            azimuths = np.rad2deg(azimuths)
+
             EditInstrumentGeometry(
                 Workspace=src,
-                L2=l2s,
-                Polar=twoThetas,
-                Azimuthal=azimuths
+                L2=np.rad2deg(l2s),
+                Polar=np.rad2deg(twoThetas),
+                Azimuthal=np.rad2deg(azimuths)
             )            
         assert mtd.doesExist(src)
 
@@ -1684,7 +1681,7 @@ def test_writeReductionData_legacy_instrument(readSyntheticReductionRecord, crea
     fileName = wng.reductionOutputGroup().runNumber(runNumber).timestamp(timestamp).build()
     fileName += Config["nexus.file.extension"]
 
-    with Config_override("reduction.output.useLegacyInstrument", True):
+    with Config_override("reduction.output.useEffectiveInstrument", False):
         wss = createReductionWorkspaces(testRecord.workspaceNames)  # noqa: F841
         localDataService = LocalDataService()
         with reduction_root_redirect(localDataService, stateId=stateId):
@@ -1829,7 +1826,7 @@ def test_readWriteReductionData_legacy_instrument(readSyntheticReductionRecord,
     fileName = wng.reductionOutputGroup().runNumber(runNumber).timestamp(timestamp).build()
     fileName += Config["reduction.output.extension"]
 
-    with Config_override("reduction.output.useLegacyInstrument", True):
+    with Config_override("reduction.output.useEffectiveInstrument", False):
         wss = createReductionWorkspaces(testRecord.workspaceNames)  # noqa: F841
         localDataService = LocalDataService()
         with reduction_root_redirect(localDataService, stateId=stateId):