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Merge pull request #51 from neutrons/pd245_add_bank_by_bank_nexus_fil…
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…e_read

Pd245 add bank by bank nexus file read
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Kvieta1990 committed Mar 25, 2022
2 parents 2230801 + 459b8cb commit 761e1b1
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Showing 11 changed files with 48,601 additions and 443 deletions.
61 changes: 32 additions & 29 deletions pystog/cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@ def pystog_cli(kwargs=None):
args = parser.parse_args()
if args.json:
print("loading config from '%s'" % args.json)
with open(args.json, 'r') as f:
with open(args.json, "r") as f:
kwargs = json.load(f)

else:
Expand All @@ -41,34 +41,37 @@ def pystog_cli(kwargs=None):

# Merge S(Q) files
stog = StoG(**kwargs)
stog.read_all_data(skiprows=3)
stog.merge_data()
stog.write_out_merged_sq()

# Initial S(Q) -> g(r) transform
stog.transform_merged()
stog.write_out_merged_gr()

# TODO: Add the lowR minimizer here
# print stog.get_lowR_mean_square()

# Set the S(Q) and g(r) if no Fourier Filter
r = stog.r_master[stog.gr_title]
q = stog.q_master[stog.sq_title]
sq = stog.sq_master[stog.sq_title]
gr_out = stog.gr_master[stog.gr_title]

# Apply Fourier Filter
if "FourierFilter" in kwargs:
q, sq, r, gr_out = stog.fourier_filter()

# Apply Lorch Modification
if kwargs["LorchFlag"]:
r, gr_out = stog.apply_lorch(q, sq, r)

# Apply final scale number
stog._add_keen_fq(q, sq)
stog._add_keen_gr(r, gr_out)
if "NexusFile" in kwargs:
stog.read_all_nexus_file_banks()
else:
stog.read_all_data(skiprows=3)
stog.merge_data()
stog.write_out_merged_sq()

# Initial S(Q) -> g(r) transform
stog.transform_merged()
stog.write_out_merged_gr()

# TODO: Add the lowR minimizer here
# print stog.get_lowR_mean_square()

# Set the S(Q) and g(r) if no Fourier Filter
r = stog.r_master[stog.gr_title]
q = stog.q_master[stog.sq_title]
sq = stog.sq_master[stog.sq_title]
gr_out = stog.gr_master[stog.gr_title]

# Apply Fourier Filter
if "FourierFilter" in kwargs:
q, sq, r, gr_out = stog.fourier_filter()

# Apply Lorch Modification
if kwargs["LorchFlag"]:
r, gr_out = stog.apply_lorch(q, sq, r)

# Apply final scale number
stog._add_keen_fq(q, sq)
stog._add_keen_gr(r, gr_out)


if __name__ == "__main__":
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