/
IndirectResolution.py
143 lines (113 loc) · 5.76 KB
/
IndirectResolution.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
# Mantid Repository : https://github.com/mantidproject/mantid
#
# Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
# NScD Oak Ridge National Laboratory, European Spallation Source,
# Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
# SPDX - License - Identifier: GPL - 3.0 +
# pylint: disable=no-init
from mantid.simpleapi import *
from mantid.api import *
from mantid.kernel import *
# pylint: disable=too-many-instance-attributes
class IndirectResolution(DataProcessorAlgorithm):
_input_files = None
_out_ws = None
_instrument = None
_analyser = None
_reflection = None
_detector_range = None
_background = None
_rebin_string = None
_scale_factor = None
_load_logs = None
def category(self):
return "Workflow\\Inelastic;Inelastic\\Indirect"
def summary(self):
return "Creates a resolution workspace for an indirect inelastic instrument."
def PyInit(self):
self.declareProperty(StringArrayProperty(name="InputFiles"), doc="Comma seperated list if input files")
self.declareProperty(
name="Instrument",
defaultValue="",
validator=StringListValidator(["IRIS", "OSIRIS", "TOSCA"]),
doc="Instrument used during run.",
)
self.declareProperty(
name="Analyser", defaultValue="", validator=StringListValidator(["graphite", "mica", "fmica"]), doc="Analyser used during run."
)
self.declareProperty(
name="Reflection", defaultValue="", validator=StringListValidator(["002", "004", "006"]), doc="Reflection used during run."
)
self.declareProperty(
IntArrayProperty(name="DetectorRange", values=[0, 1]), doc="Range of detetcors to use in resolution calculation."
)
self.declareProperty(FloatArrayProperty(name="BackgroundRange", values=[0.0, 0.0]), doc="Energy range to use as background.")
self.declareProperty(name="RebinParam", defaultValue="", doc="Rebinning parameters (min,width,max)")
self.declareProperty(name="ScaleFactor", defaultValue=1.0, doc="Factor to scale resolution curve by")
self.declareProperty(name="LoadLogFiles", defaultValue=True, doc="Option to load log files")
self.declareProperty(WorkspaceProperty("OutputWorkspace", "", direction=Direction.Output), doc="Output resolution workspace.")
def PyExec(self):
self._setup()
iet_alg = self.createChildAlgorithm(name="ISISIndirectEnergyTransfer", startProgress=0.0, endProgress=0.7, enableLogging=True)
iet_alg.setProperty("Instrument", self._instrument)
iet_alg.setProperty("Analyser", self._analyser)
iet_alg.setProperty("Reflection", self._reflection)
iet_alg.setProperty("GroupingMethod", "All")
iet_alg.setProperty("SumFiles", True)
iet_alg.setProperty("InputFiles", self._input_files)
iet_alg.setProperty("SpectraRange", self._detector_range)
iet_alg.setProperty("LoadLogFiles", self._load_logs)
iet_alg.execute()
group_ws = iet_alg.getProperty("OutputWorkspace").value
icon_ws = group_ws.getItem(0).name()
workflow_prog = Progress(self, start=0.7, end=0.9, nreports=4)
if self._scale_factor != 1.0:
workflow_prog.report("Scaling Workspace")
Scale(InputWorkspace=icon_ws, OutputWorkspace=icon_ws, Factor=self._scale_factor)
workflow_prog.report("Calculating flat background")
CalculateFlatBackground(
InputWorkspace=icon_ws,
OutputWorkspace=self._out_ws,
StartX=self._background[0],
EndX=self._background[1],
Mode="Mean",
OutputMode="Subtract Background",
)
workflow_prog.report("Rebinning Workspace")
Rebin(InputWorkspace=self._out_ws, OutputWorkspace=self._out_ws, Params=self._rebin_string)
workflow_prog.report("Completing Post Processing")
self._post_process()
self.setProperty("OutputWorkspace", self._out_ws)
def _setup(self):
"""
Gets algorithm properties.
"""
self._input_files = self.getProperty("InputFiles").value
self._out_ws = self.getPropertyValue("OutputWorkspace")
self._instrument = self.getProperty("Instrument").value
self._analyser = self.getProperty("Analyser").value
self._reflection = self.getProperty("Reflection").value
self._detector_range = self.getProperty("DetectorRange").value
self._background = self.getProperty("BackgroundRange").value
self._rebin_string = self.getProperty("RebinParam").value
self._scale_factor = self.getProperty("ScaleFactor").value
self._load_logs = self.getProperty("LoadLogFiles").value
def _post_process(self):
"""
Handles adding logs, saving and plotting.
"""
sample_logs = [("res_back_start", self._background[0]), ("res_back_end", self._background[1])]
if self._scale_factor != 1.0:
sample_logs.append(("res_scale_factor", self._scale_factor))
rebin_params = self._rebin_string.split(",")
if len(rebin_params) == 3:
sample_logs.append(("rebin_low", rebin_params[0]))
sample_logs.append(("rebin_width", rebin_params[1]))
sample_logs.append(("rebin_high", rebin_params[2]))
log_alg = self.createChildAlgorithm(name="AddSampleLogMultiple", startProgress=0.9, endProgress=1.0, enableLogging=True)
log_alg.setProperty("Workspace", self._out_ws)
log_alg.setProperty("LogNames", [log[0] for log in sample_logs])
log_alg.setProperty("LogValues", [log[1] for log in sample_logs])
self.setProperty("OutputWorkspace", self._out_ws)
log_alg.execute()
AlgorithmFactory.subscribe(IndirectResolution)