PyChop-SNS: Add docs. Got agreement with rez.mcvine.ornl.gov

mducle · mducle · commit 51586ce2ff7b · 2025-01-14T01:32:04.000Z
diff --git a/docs/source/interfaces/direct/PyChop.rst b/docs/source/interfaces/direct/PyChop.rst
@@ -20,6 +20,10 @@ Currently, the four direct geometry spectrometers at ISIS (LET, MAPS, MARI, and
 MERLIN) and the four direct geometry spectrometers at SNS (ARCS, CNCS, HYSPEC,
 SEQUOIA) are supported.
 
+.. note::
+  For SNS instruments the flux is given in n/cm\ :sup:`2`/s/MW whereas for
+  ISIS instruments it is n/cm\ :sup:`2`/s at a nominal proton current of 160uA.
+
 For MERLIN and LET, in addition, PyChop will also calculate the allowed Ei's in
 multi-rep mode, and plot the time-distance diagrams for the desired setting.
 
diff --git a/docs/source/release/v6.12.0/Direct_Geometry/General/Bugfixes/38591.rst b/docs/source/release/v6.12.0/Direct_Geometry/General/Bugfixes/38591.rst
@@ -0,0 +1,7 @@
+- Definition files for :ref:`PyChop <PyChop>` for SNS instruments ARCS and SEQUOIA fixed.
+
+  This was due to the wrong files from the original `repository <https://github.com/sns-chops/resolution>`_
+  being included into Mantid. The correct files are now include so that PyChop calculations in Mantid
+  now agree with that from the `online SNS calculator <https://rez.mcvine.ornl.gov/>`_.
+  Please note that the flux values for SNS instruments are in n/cm^2/s/MW whereas for ISIS instruments
+  it is in n/cm^2/s at a nominal proton current of 160uA.
diff --git a/qt/python/mantidqtinterfaces/test/PyChopInstrumentTest.py b/qt/python/mantidqtinterfaces/test/PyChopInstrumentTest.py
@@ -387,28 +387,28 @@ def test_merlin_specials(self):
     def test_pychop_numerics(self):
         # Tests all instruments resolution and flux values against reference
         instruments = ["ARCS", "CNCS", "HYSPEC", "LET", "MAPS", "MARI", "MERLIN", "SEQUOIA"]
-        choppers = ["ARCS-100-1.5-AST", "High Flux", "OnlyOne", "High Flux", "S", "S", "G", "SEQ-100-2.0-AST"]
+        choppers = ["ARCS-100-1.5-AST", "High Flux", "OnlyOne", "High Flux", "S", "S", "G", "High-Resolution"]
         freqs = [[300], [300, 60], [180], [240, 120], [400, 50], [400], [400], [300]]
         eis = [120, 3.7, 45, 3.7, 120, 80, 120, 120]
         ref_res = [
-            10.278744237772832,
+            6.072831079992827,
             0.13188102618129077,
             3.6751279831313703,
             0.08079912729715726,
             4.9611687063450995,
             2.6049587487601764,
             6.8755979524827255,
-            5.396705255853653,
+            3.599331977438773,
         ]
         ref_flux = [
-            2055.562054927915,
+            22192.86718280959,
             128986.24972543867,
             0.014779264739956933,
             45438.33797146135,
             24196.496233770937,
             5747.118187298609,
             22287.647098883135,
-            4063.3113893387676,
+            16015.853669861977,
         ]
         for inst, ch, frq, ei, res0, flux0 in zip(instruments, choppers, freqs, eis, ref_res, ref_flux):
             res, flux = Instrument.calculate(inst, ch, frq, ei, 0)
diff --git a/scripts/pychop/arcs.yaml b/scripts/pychop/arcs.yaml
@@ -112,6 +112,6 @@ moderator:
   theta: -13.75                 # Angle beamline makes with moderator face (degrees)
   source_rep: 60                # Frequency of source (Hz)
   measured_flux:                # Table of measured flux vs wavelength. Wavelength in Angstrom. Flux in n/cm^2/s/uA/Angstrom
-    scale_factor: 1.      # A factor to scale the flux values below by
+    scale_factor: 600.          # A factor to scale the flux values below by
     wavelength: [0.28601414576833351, 0.29616861080662232, 0.30668359353866664, 0.31757189355627352, 0.32884676487984915, 0.34052193209214343, 0.35261160704479783, 0.36513050615803061, 0.37809386833452097, 0.39151747350929472, 0.40541766185819367, 0.41981135368831168, 0.43471607003460611, 0.45014995398775937, 0.46613179277925221, 0.48268104065052947, 0.49981784253410028, 0.5175630585753952, 0.53593828952523304, 0.55496590303380511, 0.57466906087818581, 0.59507174715650868, 0.61619879748313355, 0.63807592922033896, 0.66072977278334122, 0.68418790405674834, 0.70847887796190545, 0.73363226321599551, 0.75967867832520353, 0.78664982885576173, 0.81457854602823976, 0.84349882668206377, 0.87344587465890866, 0.90445614365534355, 0.93656738159688513, 0.969818676587485, 1.0042505044903745, 1.0399047781981905, 1.0768248986523594, 1.1150558076738351, 1.1546440426695133, 1.1956377932809006, 1.2380869600440081, 1.2820432151318641, 1.3275600652535944, 1.3746929167866273, 1.4234991432213153, 1.4740381550000654, 1.5263714718359951, 1.5805627975991423, 1.6366780978613906, 1.6947856801944969, 1.7549562773189731, 1.8172631332050293, 1.8817820922303938, 1.9485916915035324, 2.0177732564646584, 2.0894109998808901, 2.1635921243560827, 2.2404069284800938, 2.3199489167467102, 2.4023149133740307, 2.4876051801658536, 2.5759235385575425, 2.6673774959949301, 2.762078376800098, 2.8601414576833353, 2.9616861080662242, 3.0668359353866661, 3.1757189355627351, 3.2884676487984921, 3.4052193209214345, 3.5261160704479786, 3.6513050615803064, 3.780938683345211, 3.9151747350929473, 4.0541766185819386, 4.1981135368831177, 4.3471607003460608, 4.5014995398775941, 4.6613179277925214, 4.8268104065052952, 4.9981784253410035, 5.175630585753952, 5.3593828952523292, 5.5496590303380522, 5.7466906087818588, 5.9507174715650875, 6.1619879748313364, 6.3807592922033907, 6.6072977278334157, 6.8418790405674859, 7.0847887796190561, 7.3363226321599546, 7.5967867832520346, 7.866498288557616, 8.1457854602823971, 8.4349882668206373, 8.7344587465890875, 9.0445614365534368]
     flux: [25276.821244674764, 28722.723407923262, 30360.473049322729, 33984.736292474241, 35854.454907360159, 37721.888451513369, 41792.101597201276, 45450.508563093113, 48323.974753436923, 52677.150482905265, 53810.476756526761, 58355.292747301173, 60130.332759471909, 65066.09090594935, 69045.858337315658, 72437.898974947966, 80728.676179699396, 87002.521650256065, 91084.890656927688, 98323.28542422819, 105006.17676779242, 114322.08986347441, 126171.54613173187, 139218.61294605921, 151521.41609409908, 161409.6958591649, 189259.48264800446, 210587.69758960878, 242242.73125719716, 268099.91882613447, 301397.72323530738, 340189.43392865575, 386431.19630181114, 439606.75079753564, 490872.55069392739, 559056.15358305548, 598054.68010369327, 642867.30642169702, 682214.88617398019, 735770.18390646728, 789062.37807587918, 843435.70552473445, 892067.84175600309, 932069.58753616642, 960829.52260059584, 977838.59389104007, 991797.75904680265, 1000337.9175057374, 982396.29545647511, 966139.49995927035, 951371.50707512058, 957975.67004690482, 970869.50658444816, 979478.07901000162, 986052.74143295304, 967911.34861546499, 896279.74583482195, 829475.87333898549, 779461.92206302506, 748939.9422760657, 720475.04177324544, 693928.58029561746, 673063.46634146478, 654417.17264869832, 637027.57674385677, 620809.98140205501, 605685.3977078927, 559996.66818095162, 517387.20610928442, 477649.47917235375, 440589.94203344069, 406028.09366374754, 373795.59819970129, 343735.46505153348, 320318.31796563335, 300587.22403512523, 282185.93979786616, 265024.84053124895, 249020.34191900652, 234094.49294804141, 220174.5962426459, 207192.8539869253, 195086.037710865, 183795.1803317109, 173265.28895073067, 163445.07700651177, 154286.71448023061, 145745.59493625097, 137780.11826340586, 130351.48805879033, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402]
diff --git a/scripts/pychop/sequoia.yaml b/scripts/pychop/sequoia.yaml
@@ -132,4 +132,4 @@ moderator:
   measured_flux:                # Table of measured flux vs wavelength. Wavelength in Angstrom. Flux in n/cm^2/s/uA/Angstrom
     scale_factor: 1.      # A factor to scale the flux values below by
     wavelength: [0.28601414576833351, 0.29616861080662232, 0.30668359353866664, 0.31757189355627352, 0.32884676487984915, 0.34052193209214343, 0.35261160704479783, 0.36513050615803061, 0.37809386833452097, 0.39151747350929472, 0.40541766185819367, 0.41981135368831168, 0.43471607003460611, 0.45014995398775937, 0.46613179277925221, 0.48268104065052947, 0.49981784253410028, 0.5175630585753952, 0.53593828952523304, 0.55496590303380511, 0.57466906087818581, 0.59507174715650868, 0.61619879748313355, 0.63807592922033896, 0.66072977278334122, 0.68418790405674834, 0.70847887796190545, 0.73363226321599551, 0.75967867832520353, 0.78664982885576173, 0.81457854602823976, 0.84349882668206377, 0.87344587465890866, 0.90445614365534355, 0.93656738159688513, 0.969818676587485, 1.0042505044903745, 1.0399047781981905, 1.0768248986523594, 1.1150558076738351, 1.1546440426695133, 1.1956377932809006, 1.2380869600440081, 1.2820432151318641, 1.3275600652535944, 1.3746929167866273, 1.4234991432213153, 1.4740381550000654, 1.5263714718359951, 1.5805627975991423, 1.6366780978613906, 1.6947856801944969, 1.7549562773189731, 1.8172631332050293, 1.8817820922303938, 1.9485916915035324, 2.0177732564646584, 2.0894109998808901, 2.1635921243560827, 2.2404069284800938, 2.3199489167467102, 2.4023149133740307, 2.4876051801658536, 2.5759235385575425, 2.6673774959949301, 2.762078376800098, 2.8601414576833353, 2.9616861080662242, 3.0668359353866661, 3.1757189355627351, 3.2884676487984921, 3.4052193209214345, 3.5261160704479786, 3.6513050615803064, 3.780938683345211, 3.9151747350929473, 4.0541766185819386, 4.1981135368831177, 4.3471607003460608, 4.5014995398775941, 4.6613179277925214, 4.8268104065052952, 4.9981784253410035, 5.175630585753952, 5.3593828952523292, 5.5496590303380522, 5.7466906087818588, 5.9507174715650875, 6.1619879748313364, 6.3807592922033907, 6.6072977278334157, 6.8418790405674859, 7.0847887796190561, 7.3363226321599546, 7.5967867832520346, 7.866498288557616, 8.1457854602823971, 8.4349882668206373, 8.7344587465890875, 9.0445614365534368]
-    flux: [25276.821244674764, 28722.723407923262, 30360.473049322729, 33984.736292474241, 35854.454907360159, 37721.888451513369, 41792.101597201276, 45450.508563093113, 48323.974753436923, 52677.150482905265, 53810.476756526761, 58355.292747301173, 60130.332759471909, 65066.09090594935, 69045.858337315658, 72437.898974947966, 80728.676179699396, 87002.521650256065, 91084.890656927688, 98323.28542422819, 105006.17676779242, 114322.08986347441, 126171.54613173187, 139218.61294605921, 151521.41609409908, 161409.6958591649, 189259.48264800446, 210587.69758960878, 242242.73125719716, 268099.91882613447, 301397.72323530738, 340189.43392865575, 386431.19630181114, 439606.75079753564, 490872.55069392739, 559056.15358305548, 598054.68010369327, 642867.30642169702, 682214.88617398019, 735770.18390646728, 789062.37807587918, 843435.70552473445, 892067.84175600309, 932069.58753616642, 960829.52260059584, 977838.59389104007, 991797.75904680265, 1000337.9175057374, 982396.29545647511, 966139.49995927035, 951371.50707512058, 957975.67004690482, 970869.50658444816, 979478.07901000162, 986052.74143295304, 967911.34861546499, 896279.74583482195, 829475.87333898549, 779461.92206302506, 748939.9422760657, 720475.04177324544, 693928.58029561746, 673063.46634146478, 654417.17264869832, 637027.57674385677, 620809.98140205501, 605685.3977078927, 559996.66818095162, 517387.20610928442, 477649.47917235375, 440589.94203344069, 406028.09366374754, 373795.59819970129, 343735.46505153348, 320318.31796563335, 300587.22403512523, 282185.93979786616, 265024.84053124895, 249020.34191900652, 234094.49294804141, 220174.5962426459, 207192.8539869253, 195086.037710865, 183795.1803317109, 173265.28895073067, 163445.07700651177, 154286.71448023061, 145745.59493625097, 137780.11826340586, 130351.48805879033, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402, 129879.12053379402]
+    flux: [22803947.5966777, 24848385.545783207, 25180468.760894515, 27015714.86643276, 27311420.560228255, 27526512.836622722, 29207419.0005123, 30413053.57139492, 30951648.45755837, 32286217.309340797, 31550457.62023869, 32721211.720118236, 32234098.19070892, 33335575.15695928, 33796885.58924874, 33864220.7566322, 36031758.847899444, 37060716.01619235, 37016066.223951384, 38106187.30308455, 38795195.66333019, 40247742.58271071, 42309783.12860928, 44448776.07675932, 46039451.12307849, 46653598.70520273, 52013213.04977424, 55002938.49786378, 60102442.72156825, 63155820.824030295, 67377379.0552483, 72132301.35194136, 77676319.158015, 83725219.77851978, 88531851.18858187, 95429772.98143584, 96565352.11000241, 98130422.11883073, 98390015.56776741, 100198443.13237552, 101404324.2705173, 102224966.55733936, 101904302.25846796, 100290284.20139174, 97318557.79586847, 93169786.15552819, 88839594.07175605, 84182144.74146137, 77617870.18649329, 71618704.21813701, 66123596.447273076, 62385999.316993415, 59200493.74796683, 55885052.79037801, 52606783.83188223, 48252730.56256117, 41723318.4091165, 36032362.64108942, 31574991.549578793, 28272323.71471143, 25328409.723336086, 22703263.41911381, 20479820.48446236, 18506988.81041715, 16732738.865672788, 15136121.078955159, 13698474.201288695, 11740986.53480223, 10049779.626694655, 8590180.045526685, 7331835.067366646, 6248199.333646447, 5316079.447289575, 4515230.284033314, 3883980.719900572, 3362391.1739470838, 2910308.469757012, 2518604.472998733, 2179322.488899506, 1885531.8149489237, 1631199.5712330833, 1411077.865109743, 1220604.5531230161, 1055816.0482907032, 913270.7873088348, 789982.1217118935, 683359.5313074082, 591157.1787933342, 511428.93272816844, 442489.08317591756, 402904.2829306783, 367922.9533037357, 335723.02334827435, 306100.6169370452, 278865.6982238616, 253841.23761884784, 230862.40993906214, 209775.8269301492, 190438.80566243487, 172718.67367078242]
