add entry point reduceUSANS (#3)

Signed-off-by: Jose Borreguero <[email protected]>

Author: jmborr

pyproject.toml

@@ -11,6 +11,9 @@ license = { text = "MIT" }
 [project.urls]
 homepage = "https://github.com/neutrons/usansred/"
 
+[project.scripts]
+reduceUSANS = "usansred.reduce_USANS:main"
+
 [build-system]
 requires = [
   "setuptools >= 40.6.0",

scripts/myscripts.py

@@ -1,19 +1,19 @@
 # standard imports
+import argparse
 import copy
 import logging
 import os
 import csv
 import math
+import warnings
 
 # third-party imports
+from scipy.optimize import differential_evolution
 import numpy
 from scipy.optimize import curve_fit
 
-
-"""summary.py: summary of the reduced data."""
-# from mpmath import fp
-# from openpyxl import chartsheet
-# from numpy.distutils.exec_command import filepath_from_subprocess_output
+# usansred imports
+from usansred.summary import reportFromCSV
 
 __author__ = "Yingrui Shang"
 __copyright__ = "Copyright 2021, NSD, ORNL"
@@ -443,9 +443,6 @@ def _gaussian(x, k0, k1, k2):
         peakArea = None
         qOffset = None
 
-        from scipy.optimize import differential_evolution
-        import warnings
-
         # function for genetic algorithm to minimize (sum of squared error)
         def sumOfSquaredError(parameterTuple):
             warnings.filterwarnings(
@@ -1029,9 +1026,6 @@ def dumpReducedData(self):
 
 
 if __name__ == "__main__":
-    from usansred.summary import reportFromCSV
-    import argparse
-
     parser = argparse.ArgumentParser(description="USANS data reduction at ORNL.")
     # parser.add_argument('csv file', metavar='csv_file', type=string, nargs='+',
     #                    help='path to the csv data file')

src/usansred/reduce.py

@@ -1,4 +1,5 @@
 # standard imports
+import csv
 import json
 import logging
 import math
@@ -22,6 +23,9 @@
 from matplotlib import use
 import numpy as np
 
+# usansred imports
+from usansred import reduce
+from usansred.summary import reportFromCSV
 
 use("agg")
 np.seterr(all="ignore")
@@ -56,11 +60,12 @@ def get_sequence_info(seq_file):
     return seq_dict
 
 
-if __name__ == "__main__":
+def main():
     # check number of arguments
     if len(sys.argv) != 3:
         print("autoreduction code requires a filename and an output directory")
-        sys.exit()
+        sys.exit(1)
+
     if not (os.path.isfile(sys.argv[1])):
         print("data file ", sys.argv[1], " not found")
         sys.exit()
@@ -91,9 +96,8 @@ def get_sequence_info(seq_file):
     roi_min = (
         mtd["USANS"].getRun().getProperty("BL1A:Det:N1:Det1:TOF:ROI:1:Min").value[-1]
     )
-    roi_step = (
-        mtd["USANS"].getRun().getProperty("BL1A:Det:N1:Det1:TOF:ROI:1:Size").value[-1]
-    )
+    # roi_step = mtd["USANS"].getRun().getProperty("BL1A:Det:N1:Det1:TOF:ROI:1:Size").value[-1]
+
     # Reference to the item in the wavelength array
     main_index = 1
     for i in range(1, 8):
@@ -469,8 +473,6 @@ def get_sequence_info(seq_file):
     else:
         pass
 
-    import csv
-
     autocsvfile = os.path.join(outdir, "auto.csv")
 
     with open(autocsvfile, "w", newline="") as autocsv:
@@ -485,9 +487,6 @@ def get_sequence_info(seq_file):
 
     sys.path.insert(2, "/SNS/USANS/shared/autoreduce/usans-reduction")
 
-    from usansred import reduce
-    from usansred.summary import reportFromCSV
-
     autodir = os.path.join(outdir, "auto")
     if not os.path.exists(autodir):
         os.makedirs(autodir)
@@ -498,3 +497,7 @@ def get_sequence_info(seq_file):
     reportFromCSV(autocsvfile, exp.outputFolder)
 
     # seq_dict = get_sequence_info(os.path.join(outdir, "scan_%s.json" % sequence_first_run))
+
+
+if __name__ == "__main__":
+    main()

src/usansred/reduce_USANS.py

@@ -1,13 +1,12 @@
+"""summary.py: summary of the reduced data."""
+
 # standard imports
 import csv
 import logging
 import os
 import pandas
 import sys
 
-"""summary.py: summary of the reduced data."""
-# from mpmath import fp
-# from openpyxl import chartsheet
 __author__ = "Yingrui Shang"
 __copyright__ = "Copyright 2021, NSD, ORNL"
 
@@ -17,8 +16,6 @@
 console.setLevel(logging.INFO)
 logging.getLogger("").addHandler(console)
 __all__ = ["reportFromCSV"]
-
-
 suffix = 0