Revision of wksp2data.py

1 file changed, 33 insertions

wksp2data.py(file created)

		@@ -0,0 +1,33 @@
1	+	# import mantid algorithms, numpy and matplotlib
2	+	from mantid.simpleapi import *
3	+	import matplotlib.pyplot as plt
4	+	import numpy as np
5	+	import os
6	+	from pathlib import Path
7	+
8	+	nxs_file = "./SofQ/NOM_Si_640e.nxs"
9	+	out_dir = "./texture_proc"
10	+
11	+	stem_name = os.path.basename(nxs_file).split(".")[0]
12	+
13	+	if stem_name not in mtd:
14	+	LoadNexus(
15	+	Filename=nxs_file,
16	+	OutputWorkspace=stem_name
17	+	)
18	+
19	+	Path(out_dir).mkdir(parents=True, exist_ok=True)
20	+
21	+	for i in range(mtd[stem_name].getNumberHistograms()):
22	+	x_tmp = mtd[stem_name].readX(i)
23	+	y_tmp = mtd[stem_name].readY(i)
24	+	y_tmp = np.insert(y_tmp, 0, y_tmp[0])
25	+	spec_id = mtd[stem_name].getSpectrum(i).getSpectrumNo()
26	+	out_file = os.path.join(
27	+	out_dir,
28	+	f"{stem_name}_bank{spec_id}.dat"
29	+	)
30	+	with open(out_file, "w") as f:
31	+	f.write(f"{len(x_tmp)}\n\n")
32	+	for j, item in enumerate(x_tmp):
33	+	f.write("{0:10.4F}{1:20.5F}\n".format(item, y_tmp[j]))

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