Merge pull request #128 from mantidproject/make-analysis-reduction-al…

…gorithm

Make analysis reduction an algorithm object

legacy/examples/run_routine.py

@@ -0,0 +1,50 @@
+
+from mvesuvio.oop.analysis_helpers import loadRawAndEmptyWsFromUserPath, cropAndMaskWorkspace
+from mvesuvio.oop.AnalysisRoutine import AnalysisRoutine
+from mvesuvio.oop.NeutronComptonProfile import NeutronComptonProfile
+import numpy as np
+
+
+def run_analysis():
+
+    ws = loadRawAndEmptyWsFromUserPath(
+        userWsRawPath='/home/ljg28444/Documents/user_0/some_new_experiment/some_new_exp/input_ws/some_new_exp_raw_forward.nxs',
+        userWsEmptyPath='/home/ljg28444/Documents/user_0/some_new_experiment/some_new_exp/input_ws/some_new_exp_empty_forward.nxs',
+        tofBinning = "110.,1.,420",
+        name='exp',
+        scaleRaw=1,
+        scaleEmpty=1,
+        subEmptyFromRaw=False
+    )
+
+    cropedWs = cropAndMaskWorkspace(ws, firstSpec=144, lastSpec=182,
+                                    maskedDetectors=[173, 174, 179],
+                                    maskTOFRange='120, 160')
+
+
+    AR = AnalysisRoutine(cropedWs,
+                         ip_file='/home/ljg28444/.mvesuvio/ip_files/ip2018_3.par',
+                         number_of_iterations=1,
+                         mask_spectra=[173, 174, 179],
+                         multiple_scattering_correction=True,
+                         vertical_width=0.1, horizontal_width=0.1, thickness=0.001,
+                         gamma_correction=True,
+                         mode_running='FORWARD',
+                         transmission_guess=0.853,
+                         multiple_scattering_order=2,
+                         number_of_events=1.0e5)
+
+    H = NeutronComptonProfile('H', mass=1.0079, intensity=1, width=4.7, center=0,
+                              intensity_bounds=[0, np.nan], width_bounds=[3, 6], center_bounds=[-3, 1]) 
+    C = NeutronComptonProfile('C', mass=12, intensity=1, width=12.71, center=0,
+                              intensity_bounds=[0, np.nan], width_bounds=[12.71, 12.71], center_bounds=[-3, 1]) 
+    S = NeutronComptonProfile('S', mass=16, intensity=1, width=8.76, center=0,
+                              intensity_bounds=[0, np.nan], width_bounds=[8.76, 8.76], center_bounds=[-3, 1]) 
+    Co = NeutronComptonProfile('Co', mass=27, intensity=1, width=13.897, center=0,
+                              intensity_bounds=[0, np.nan], width_bounds=[13.897, 13.897], center_bounds=[-3, 1]) 
+
+    AR.add_profiles(H, C, S, Co)
+    AR.run()
+
+
+run_analysis()