37795 change polaris pdf norm (#38535)

* Updated vanadium norm dict as per issue #37795

Some extra changes will be needed as this norm_dict doesn't seem to be called properly

* Removed hard-coded vanadium normalisation method

* Added test support for pdf_norm options #37795

Updated the enum to recognise the option and updated the tests so "Relative" is no longer hard coded - added an extra test some corresponding files

* Updated Test files for pdf_norm inclusion #37795

* moved repeated validation code to helper

* improved run_focus_absorption readability

* Add release notes

* Updated the Polaris Docs

Testing/Data/SystemTest/ISIS_Powder/input/POLARIS00098534.nxs.md5

@@ -0,0 +1 @@
+84cf90b7704c016162deb5def8dec28a

Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/polaris_system_test_mapping.yaml.md5

@@ -1 +1 @@
-28c6b5a204a148206ff2c61a8b69a60b
+c50f5d06a8f8975e8dbc1cecb5974f50

Testing/SystemTests/tests/framework/ISIS_PowderPolarisTest.py

@@ -116,7 +116,7 @@ def cleanup(self):
             config["datasearch.directories"] = self.existing_config
 
 
-class FocusTestNoAbsorption(systemtesting.MantidSystemTest):
+class FocusTestNoAbsorptionWithRelativeNormalisation(systemtesting.MantidSystemTest):
     focus_results = None
     existing_config = config["datasearch.directories"]
 
@@ -126,29 +126,34 @@ def requiredFiles(self):
     def runTest(self):
         # Gen vanadium calibration first
         setup_mantid_paths()
-        self.focus_results = run_focus_no_absorption()
+        self.focus_results = run_focus_no_absorption(mode="PDF")
 
     def validate(self):
-        # check output files as expected
-        def generate_error_message(expected_file, output_dir):
-            return "Unable to find {} in {}.\nContents={}".format(expected_file, output_dir, os.listdir(output_dir))
+        return validate_normalisation_focus_tests(self, "98533")
 
-        def assert_output_file_exists(directory, filename):
-            self.assertTrue(os.path.isfile(os.path.join(directory, filename)), msg=generate_error_message(filename, directory))
+    def cleanup(self):
+        try:
+            _try_delete(spline_path)
+            _try_delete(output_dir)
+        finally:
+            mantid.mtd.clear()
+            config["datasearch.directories"] = self.existing_config
 
-        user_output = os.path.join(output_dir, "17_1", "Test")
-        assert_output_file_exists(user_output, "POLARIS98533.nxs")
-        assert_output_file_exists(user_output, "POLARIS98533.gsas")
-        output_dat_dir = os.path.join(user_output, "dat_files")
-        for bankno in range(1, 6):
-            assert_output_file_exists(output_dat_dir, "POL98533-b_{}-TOF.dat".format(bankno))
-            assert_output_file_exists(output_dat_dir, "POL98533-b_{}-d.dat".format(bankno))
 
-        for ws in self.focus_results:
-            self.assertEqual(ws.sample().getMaterial().name(), "Si Si")
-        self.tolerance_is_rel_err = True
-        self.tolerance = 1e-6
-        return self.focus_results.name(), "ISIS_Powder-POLARIS98533_FocusSempty.nxs"
+class FocusTestNoAbsorptionWithAbsoluteNormalisation(systemtesting.MantidSystemTest):
+    focus_results = None
+    existing_config = config["datasearch.directories"]
+
+    def requiredFiles(self):
+        return _gen_required_files()
+
+    def runTest(self):
+        # Gen vanadium calibration first
+        setup_mantid_paths()
+        self.focus_results = run_focus_no_absorption(mode="PDF_NORM")
+
+    def validate(self):
+        return validate_normalisation_focus_tests(self, "98534")
 
     def cleanup(self):
         try:
@@ -534,7 +539,7 @@ def run_total_scattering(
 
 
 def _gen_required_files():
-    required_run_numbers = ["98531", "98532", "98533"]  # create_van : PDF mode  # File to focus (Si)
+    required_run_numbers = ["98531", "98532", "98533", "98534"]  # create_van : PDF mode  # File to focus (Si)
 
     # Generate file names of form "INSTxxxxx.nxs"
     input_files = [os.path.join(input_dir, (inst_name + "000" + number + ".nxs")) for number in required_run_numbers]
@@ -566,8 +571,13 @@ def run_vanadium_calibration(per_detector):
     return splined_ws, unsplined_ws
 
 
-def run_focus_no_absorption(per_detector=False):
-    run_number = 98533
+def run_focus_no_absorption(per_detector=False, mode="PDF"):
+    if mode == "PDF_NORM":
+        run_number = 98534
+    elif mode == "PDF":
+        run_number = 98533
+    else:
+        raise RuntimeError("Invalid mode")
     sample_empty = 98532  # Use the vanadium empty again to make it obvious
     sample_empty_scale = 0.5  # Set it to 50% scale
 
@@ -580,15 +590,14 @@ def run_focus_no_absorption(per_detector=False):
     original_splined_path = os.path.join(input_dir, splined_file_name)
     shutil.copy(original_splined_path, spline_path)
 
-    inst_object = setup_inst_object(mode="PDF")
+    inst_object = setup_inst_object(mode=mode)
     return inst_object.focus(
         run_number=run_number,
         input_mode="Individual",
         do_van_normalisation=True,
         do_absorb_corrections=False,
         sample_empty=sample_empty,
         sample_empty_scale=sample_empty_scale,
-        van_normalisation_method="Relative",
         per_detector_vanadium=per_detector,
     )
 
@@ -625,30 +634,22 @@ def run_focus_absorption(run_number, paalman_pings=False):
     shutil.copy(original_splined_path, spline_path)
 
     inst_object = setup_inst_object("PDF", with_container=True)
+    focus_kwargs = {}
     if paalman_pings:
         inst_object._inst_settings.empty_can_subtraction_method = "PaalmanPings"  # the default is Simple
         inst_object._inst_settings.paalman_pings_events_per_point = 1
-
-        return inst_object.focus(
-            run_number=run_number,
-            input_mode="Summed",
-            do_van_normalisation=True,
-            do_absorb_corrections=True,
-            sample_empty=sample_empty,
-            multiple_scattering=False,
-            van_normalisation_method="Relative",
-        )
     else:
-        return inst_object.focus(
-            run_number=run_number,
-            input_mode="Summed",
-            do_van_normalisation=True,
-            do_absorb_corrections=True,
-            sample_empty=sample_empty,
-            sample_empty_scale=sample_empty_scale,
-            multiple_scattering=False,
-            van_normalisation_method="Relative",
-        )
+        focus_kwargs["sample_empty_scale"] = sample_empty_scale
+
+    return inst_object.focus(
+        run_number=run_number,
+        input_mode="Summed",
+        do_van_normalisation=True,
+        do_absorb_corrections=True,
+        sample_empty=sample_empty,
+        multiple_scattering=False,
+        **focus_kwargs,
+    )
 
 
 def setup_mantid_paths():
@@ -701,3 +702,26 @@ def get_bin_number_at_given_r(r_data, r):
     diffs = [abs(i - r) for i in r_centres]
     idx = diffs.index(min(diffs))
     return idx
+
+
+def validate_normalisation_focus_tests(test, ws_num):
+    # check output files as expected
+    def generate_error_message(expected_file, output_dir):
+        return f"Unable to find {expected_file} in {output_dir}.\nContents={os.listdir(output_dir)}"
+
+    def assert_output_file_exists(directory, filename):
+        test.assertTrue(os.path.isfile(os.path.join(directory, filename)), msg=generate_error_message(filename, directory))
+
+    user_output = os.path.join(output_dir, "17_1", "Test")
+    assert_output_file_exists(user_output, f"POLARIS{ws_num}.nxs")
+    assert_output_file_exists(user_output, f"POLARIS{ws_num}.gsas")
+    output_dat_dir = os.path.join(user_output, "dat_files")
+    for bankno in range(1, 6):
+        assert_output_file_exists(output_dat_dir, f"POL{ws_num}-b_{bankno}-TOF.dat")
+        assert_output_file_exists(output_dat_dir, f"POL{ws_num}-b_{bankno}-d.dat")
+
+    for ws in test.focus_results:
+        test.assertEqual(ws.sample().getMaterial().name(), "Si Si")
+    test.tolerance_is_rel_err = True
+    test.tolerance = 1e-6
+    return test.focus_results.name(), f"ISIS_Powder-POLARIS{ws_num}_FocusSempty.nxs"

Testing/SystemTests/tests/framework/reference/ISIS_Powder-POLARIS98534_FocusSempty.nxs.md5

@@ -0,0 +1 @@
+81c8bbfd41201606449de36771ce9655

docs/source/release/v6.12.0/Diffraction/Powder/New_features/38535.rst

@@ -0,0 +1 @@
+-  Added new mode ``mode="pdf_norm"`` to :ref:`ISIS POLARIS powder reduction<isis-powder-diffraction-polaris-ref>` for when the chopper is off/stationary with a default ``van_normalisation_method="absolute"``. The existing  ``mode="pdf"`` now has a default  ``van_normalisation_method="relative"`` (was previously ``"absolute"``).

docs/source/techniques/ISISPowder-Polaris-v1.rst

@@ -358,7 +358,7 @@ and :ref:`focus_polaris_isis-powder-diffraction-ref` method.
 This determines which vanadium and empty run numbers
 to use whilst processing.
 
-Accepted values are: **PDF** or **Rietveld**
+Accepted values are: **PDF**, **PDF_NORM** or **Rietveld**
 
 *Note: This parameter is not case sensitive*
 
@@ -371,6 +371,8 @@ Example Input:
 
   polaris_example.create_vanadium(mode="PDF", ...)
   # Or
+  polaris_example.create_vanadium(mode="PDF_NORM", ...)
+  # Or alternatively
   polaris_example.focus(mode="Rietveld", ...)
 
 .. _config_file_polaris_isis-powder-diffraction-ref:

scripts/Diffraction/isis_powder/polaris_routines/polaris_advanced_config.py

@@ -101,6 +101,9 @@ def get_mode_specific_dict(mode):
         return {"focused_cropping_values": "auto", "van_normalisation_method": "Relative"}
     mode = mode.lower()
     if mode == "pdf":
+        return {"focused_cropping_values": pdf_focused_cropping_values, "van_normalisation_method": "Relative"}
+    if mode == "pdf_norm":
+        # In long run this will replace gudrun
         return {"focused_cropping_values": pdf_focused_cropping_values, "van_normalisation_method": "Absolute"}
     if mode == "rietveld":
         return {"focused_cropping_values": rietveld_focused_cropping_values, "van_normalisation_method": "Relative"}

scripts/Diffraction/isis_powder/polaris_routines/polaris_enums.py

@@ -9,4 +9,5 @@
 class POLARIS_CHOPPER_MODES(object):
     enum_friendly_name = "Polaris chopper modes"
     PDF = "PDF"
+    PDF_NORM = "PDF_NORM"
     Rietveld = "Rietveld"