Fix system analysis tests

src/mvesuvio/main/run_routine.py

@@ -75,7 +75,7 @@ def run(self):
         wsInMtd = [ws in mtd for ws in self.ws_to_fit_y_space]  # Bool list
         if (len(wsInMtd) > 0) and all(wsInMtd):
             self.runAnalysisFitting()
-            return
+            return self.analysis_result, self.fitting_result  
 
         checkUserClearWS(self.yes_to_all)  # Check if user is OK with cleaning all workspaces
 
@@ -85,13 +85,14 @@ def run(self):
         end_time = time.time()
         print("\nRunning time: ", end_time - start_time, " seconds")
 
-        return self.analysis_result, self.fitting_result # Return results used only in tests
+        # Return results used only in tests
+        return self.analysis_result, self.fitting_result  
 
 
     def runAnalysisFitting(self):
         for wsName, i_cls in zip(self.ws_to_fit_y_space, self.classes_to_fit_y_space):
-            resYFit = fitInYSpaceProcedure(self.yFitIC, i_cls, wsName)
-        self.fitting_result = resYFit
+            self.fitting_result = fitInYSpaceProcedure(self.yFitIC, i_cls, wsName)
+        return
 
 
     def runAnalysisRoutine(self):
@@ -111,13 +112,11 @@ def runAnalysisRoutine(self):
             ), "When H is not present, HToMassIdxRatio has to be set to None"
 
         if routine_type == "BACKWARD":
-            res = runIndependentIterativeProcedure(self.bckwdIC, running_tests=self.running_tests)
+            self.analysis_result = runIndependentIterativeProcedure(self.bckwdIC, running_tests=self.running_tests)
         if routine_type == "FORWARD":
-            res = runIndependentIterativeProcedure(self.fwdIC, running_tests=self.running_tests)
+            self.analysis_result = runIndependentIterativeProcedure(self.fwdIC, running_tests=self.running_tests)
         if routine_type == "JOINT":
-            res = runJointBackAndForwardProcedure(self.bckwdIC, self.fwdIC)
-
-        self.analysis_result = res
+            self.analysis_result = runJointBackAndForwardProcedure(self.bckwdIC, self.fwdIC)
         return 
 
 

tests/data/analysis/inputs/sample_test.py → tests/data/analysis/inputs/analysis_test.py

@@ -2,8 +2,7 @@
 
 
 class LoadVesuvioBackParameters:
-    def __init__(self, ipFilesPath):
-        self.ipfile = ipFilesPath / "ip2019.par"
+    ipfile = "ip2019.par"
 
     runs = "43066-43076"  # 77K         # The numbers of the runs to be analysed
     empty_runs = (
@@ -17,8 +16,7 @@ def __init__(self, ipFilesPath):
 
 
 class LoadVesuvioFrontParameters:
-    def __init__(self, ipFilesPath):
-        self.ipfile = ipFilesPath / "ip2018_3.par"
+    ipfile = "ip2018_3.par"
 
     runs = "43066-43076"  # 100K        # The numbers of the runs to be analysed
     empty_runs = (
@@ -38,8 +36,7 @@ class GeneralInitialConditions:
 
 
 class BackwardInitialConditions(GeneralInitialConditions):
-    def __init__(self, ipFilesPath):
-        self.InstrParsPath = ipFilesPath / "ip2018_3.par"
+    instrParsFile = "ip2018_3.par"
 
     HToMassIdxRatio = 19.0620008206  # Set to zero or None when H is not present
     massIdx = 0
@@ -67,13 +64,10 @@ def __init__(self, ipFilesPath):
     GammaCorrectionFlag = False
     tofBinning = "275.,1.,420"  # Binning of ToF spectra
     maskTOFRange = None
-    runHistData = True
-    normVoigt = False
 
 
 class ForwardInitialConditions(GeneralInitialConditions):
-    def __init__(self, ipFilesPath):
-        self.InstrParsPath = ipFilesPath / "ip2018_3.par"
+    instrParsFile = "ip2018_3.par"
 
     HToMassIdxRatio = 0     # New way to ignore ratio
 
@@ -104,8 +98,6 @@ def __init__(self, ipFilesPath):
     maskedSpecAllNo = np.array([173, 174, 179])
     tofBinning = "110,1,430"  # Binning of ToF spectra
     maskTOFRange = None
-    runHistData = True
-    normVoigt = False
 
 
 class YSpaceFitInitialConditions:

tests/data/analysis/inputs/yspace_gauss_test.py

@@ -0,0 +1,17 @@
+from tests.data.analysis.inputs.analysis_test import (
+    LoadVesuvioBackParameters,
+    LoadVesuvioFrontParameters,
+    GeneralInitialConditions,
+    BackwardInitialConditions,
+    ForwardInitialConditions,
+    YSpaceFitInitialConditions,
+    UserScriptControls
+)
+
+ForwardInitialConditions.noOfMSIterations = 1
+ForwardInitialConditions.firstSpec = 164
+ForwardInitialConditions.lastSpec = 175
+YSpaceFitInitialConditions.fitModel = "SINGLE_GAUSSIAN"
+UserScriptControls.runRoutine = True
+UserScriptControls.procedure = "FORWARD" 
+UserScriptControls.fitInYSpace = "FORWARD"

tests/data/analysis/inputs/yspace_gc_test.py

@@ -0,0 +1,18 @@
+from tests.data.analysis.inputs.analysis_test import (
+    LoadVesuvioBackParameters,
+    LoadVesuvioFrontParameters,
+    GeneralInitialConditions,
+    BackwardInitialConditions,
+    ForwardInitialConditions,
+    YSpaceFitInitialConditions,
+    UserScriptControls
+)
+
+ForwardInitialConditions.noOfMSIterations = 1
+ForwardInitialConditions.firstSpec = 164
+ForwardInitialConditions.lastSpec = 175
+YSpaceFitInitialConditions.fitModel = "GC_C4_C6"
+YSpaceFitInitialConditions.symmetrisationFlag = False 
+UserScriptControls.runRoutine = True
+UserScriptControls.procedure = "FORWARD" 
+UserScriptControls.fitInYSpace = "FORWARD"

tests/system/analysis/test_analysis.py

@@ -2,22 +2,9 @@
 import numpy as np
 import numpy.testing as nptest
 from pathlib import Path
-from mvesuvio.run_routine import runRoutine
+from mvesuvio.main.run_routine import Runner 
 from mvesuvio.util import handle_config
-from tests.data.analysis.inputs.sample_test import (
-    LoadVesuvioBackParameters,
-    LoadVesuvioFrontParameters,
-    BackwardInitialConditions,
-    ForwardInitialConditions,
-    YSpaceFitInitialConditions,
-    UserScriptControls,
-)
 import mvesuvio
-mvesuvio.set_config(
-    ip_folder=str(Path(handle_config.VESUVIO_PACKAGE_PATH).joinpath("config", "ip_files")),
-    inputs_file=str(Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "inputs" / "sample_test.py")
-)
-ipFilesPath = Path(handle_config.read_config_var("caching.ipfolder"))
 
 
 class AnalysisRunner:
@@ -26,29 +13,24 @@ class AnalysisRunner:
 
     @classmethod
     def get_benchmark_result(cls):
-        if not AnalysisRunner._benchmarkResults:
+        if not cls._benchmarkResults:
             cls._load_benchmark_results()
-        return AnalysisRunner._benchmarkResults
+        return cls._benchmarkResults
 
     @classmethod
     def get_current_result(cls):
-        if not AnalysisRunner._currentResults:
+        if not cls._currentResults:
+            mvesuvio.set_config(
+                ip_folder=str(Path(handle_config.VESUVIO_PACKAGE_PATH).joinpath("config", "ip_files")),
+                inputs_file=str(Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "inputs" / "analysis_test.py")
+            )
             cls._run()
-        return AnalysisRunner._currentResults
+        return cls._currentResults
 
     @classmethod
     def _run(cls):
-        scattRes, yfitRes = runRoutine(
-            UserScriptControls(),
-            LoadVesuvioBackParameters(ipFilesPath),
-            LoadVesuvioFrontParameters(ipFilesPath),
-            BackwardInitialConditions(ipFilesPath),
-            ForwardInitialConditions(ipFilesPath),
-            YSpaceFitInitialConditions(),
-            True,
-            running_tests=True
-        )
-        AnalysisRunner._currentResults = scattRes 
+        scattRes, yfitRes = Runner(True, True).run()
+        cls._currentResults = scattRes 
         return
 
     @classmethod
@@ -57,7 +39,7 @@ def _load_benchmark_results(cls):
         benchmarkResults = np.load(
             str(benchmarkPath / "stored_spec_144-182_iter_3_GC_MS.npz")
         )
-        AnalysisRunner._benchmarkResults = benchmarkResults
+        cls._benchmarkResults = benchmarkResults
 
 
 class TestFitParameters(unittest.TestCase):

tests/system/analysis/test_yspace_fit.py

@@ -1,45 +1,14 @@
-from mvesuvio.run_routine import runRoutine 
+from mvesuvio.main.run_routine import Runner 
 from mantid.simpleapi import Load
 from mantid.api import AnalysisDataService
 from pathlib import Path
 import numpy as np
 import unittest
 import numpy.testing as nptest
 from mvesuvio.util import handle_config
-from tests.data.analysis.inputs.sample_test import (
-    LoadVesuvioBackParameters,
-    LoadVesuvioFrontParameters,
-    BackwardInitialConditions,
-    ForwardInitialConditions,
-    YSpaceFitInitialConditions,
-)
 import mvesuvio
-mvesuvio.set_config(
-    ip_folder=str(Path(handle_config.VESUVIO_PACKAGE_PATH).joinpath("config", "ip_files")),
-    inputs_file=str(Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "inputs" / "sample_test.py")
-)
-np.set_printoptions(suppress=True, precision=8, linewidth=150)
-
-
-class UserScriptControls:
-    runRoutine = True
-    procedure = "FORWARD"
-    fitInYSpace = "FORWARD"
-
-
-userCtr = UserScriptControls
-ipFilesPath = Path(handle_config.read_config_var("caching.ipfolder"))
-wsBackIC = LoadVesuvioBackParameters(ipFilesPath)
-wsFrontIC = LoadVesuvioFrontParameters(ipFilesPath)
-bckwdIC = BackwardInitialConditions(ipFilesPath)
-fwdIC = ForwardInitialConditions(ipFilesPath)
-yFitIC = YSpaceFitInitialConditions()
-scriptName = handle_config.get_script_name()
 
-fwdIC.noOfMSIterations = 1
-fwdIC.firstSpec = 164
-fwdIC.lastSpec = 175
-yFitIC.fitModel = "SINGLE_GAUSSIAN"
+np.set_printoptions(suppress=True, precision=8, linewidth=150)
 
 
 class AnalysisRunner:
@@ -64,17 +33,22 @@ def get_benchmark_result(cls):
     @classmethod
     def get_current_result(cls):
         if not AnalysisRunner._currentResults:
+            mvesuvio.set_config(
+                ip_folder=str(Path(handle_config.VESUVIO_PACKAGE_PATH).joinpath("config", "ip_files")),
+                inputs_file=str(Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "inputs" / "yspace_gauss_test.py")
+            )
             cls._run()
         return AnalysisRunner._currentResults
 
     @classmethod
     def _load_workspaces(cls):
         AnalysisDataService.clear()
+        scriptName = handle_config.get_script_name()
         wsFinal = Load(
             str(cls._input_data_path / "wsFinal.nxs"),
             OutputWorkspace=scriptName + "_fwd_1",
         )
-        for i in range(len(fwdIC.masses)):
+        for i in range(4):
             fileName = "wsFinal_ncp_" + str(i) + ".nxs"
             Load(
                 str(cls._input_data_path / fileName),
@@ -84,10 +58,7 @@ def _load_workspaces(cls):
     @classmethod
     def _run(cls):
         cls.load_workspaces()   # Load data to skip run of routine
-
-        scattRes, yfitRes = runRoutine(
-            userCtr, wsBackIC, wsFrontIC, bckwdIC, fwdIC, yFitIC, True
-        )
+        scattRes, yfitRes = Runner(True, True).run()
         cls._currentResults = yfitRes
 
     @classmethod

tests/system/analysis/test_yspace_fit_GC.py

@@ -1,46 +1,14 @@
-from mvesuvio.run_routine import runRoutine
+from mvesuvio.main.run_routine import Runner 
 from mantid.simpleapi import Load
 from mantid.api import AnalysisDataService
 from pathlib import Path
 import numpy as np
 import unittest
 import numpy.testing as nptest
 from mvesuvio.util import handle_config
-from tests.data.analysis.inputs.sample_test import (
-    LoadVesuvioBackParameters,
-    LoadVesuvioFrontParameters,
-    BackwardInitialConditions,
-    ForwardInitialConditions,
-    YSpaceFitInitialConditions,
-)
 import mvesuvio
-mvesuvio.set_config(
-    ip_folder=str(Path(handle_config.VESUVIO_PACKAGE_PATH).joinpath("config", "ip_files")),
-    inputs_file=str(Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "inputs" / "sample_test.py")
-)
-np.set_printoptions(suppress=True, precision=8, linewidth=150)
-
-
-class UserScriptControls:
-    runRoutine = True
-    procedure = "FORWARD"
-    fitInYSpace = "FORWARD"
-
 
-userCtr = UserScriptControls
-ipFilesPath = Path(handle_config.read_config_var("caching.ipfolder"))
-wsBackIC = LoadVesuvioBackParameters(ipFilesPath)
-wsFrontIC = LoadVesuvioFrontParameters(ipFilesPath)
-bckwdIC = BackwardInitialConditions(ipFilesPath)
-fwdIC = ForwardInitialConditions(ipFilesPath)
-yFitIC = YSpaceFitInitialConditions()
-scriptName = handle_config.get_script_name()
-
-fwdIC.noOfMSIterations = 1
-fwdIC.firstSpec = 164
-fwdIC.lastSpec = 175
-yFitIC.fitModel = "GC_C4_C6"
-yFitIC.symmetrisationFlag = False
+np.set_printoptions(suppress=True, precision=8, linewidth=150)
 
 
 class AnalysisRunner:
@@ -65,17 +33,22 @@ def get_benchmark_result(cls):
     @classmethod
     def get_current_result(cls):
         if not AnalysisRunner._currentResults:
+            mvesuvio.set_config(
+                ip_folder=str(Path(handle_config.VESUVIO_PACKAGE_PATH).joinpath("config", "ip_files")),
+                inputs_file=str(Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "inputs" / "yspace_gc_test.py")
+            )
             cls._run()
         return AnalysisRunner._currentResults
 
     @classmethod
     def _load_workspaces(cls):
         AnalysisDataService.clear()
+        scriptName = handle_config.get_script_name()
         wsFinal = Load(
             str(cls._input_data_path / "wsFinal.nxs"),
             OutputWorkspace=scriptName + "_fwd_1",
         )
-        for i in range(len(fwdIC.masses)):
+        for i in range(4):
             fileName = "wsFinal_ncp_" + str(i) + ".nxs"
             Load(
                 str(cls._input_data_path / fileName),
@@ -85,10 +58,7 @@ def _load_workspaces(cls):
     @classmethod
     def _run(cls):
         cls.load_workspaces()
-
-        scattRes, yfitRes = runRoutine(
-            userCtr, wsBackIC, wsFrontIC, bckwdIC, fwdIC, yFitIC, True
-        )
+        scattRes, yfitRes = Runner(True, True).run()
         cls._currentResults = yfitRes
 
     @classmethod