sf-mx/crystfel_tools
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added bug fix for progress bar crash

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Beale John Henry
2024-02-01 09:10:10 +01:00
parent 88ce19d2d0
commit 0488b99515
1 changed files with 9 additions and 9 deletions
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18
reduction_tools/partialator.py
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@@ -268,6 +268,7 @@ def main( cwd, name, stream, pointgroup, model, iterations, cell, shells, part_h
print( "DONE" )
# use progress bar to track job completion
time.sleep(30)
wait_for_jobs(submitted_job_ids, 1 )
print("slurm processing done")
@@ -283,7 +284,7 @@ def main( cwd, name, stream, pointgroup, model, iterations, cell, shells, part_h
print_df = stats_df[ [ "1_d", "d", "min",
"max", "nref", "poss",
"comp", "obs", "mult",
"snr", "I", "cc", "ccstar"] ]
"snr", "I", "rsplit", "cc", "ccstar"] ]
print_df.to_csv( "summary_table.csv", sep="\t", index=False )
# calculate cc metrics
@@ -324,44 +325,43 @@ if __name__ == "__main__":
parser.add_argument(
"-m",
"--model",
help="model used partialator, e.g., unity or xsphere, unity = default",
help="model used partialator, e.g., unity or xsphere. Default = unity.",
type=str,
default="unity"
)
parser.add_argument(
"-i",
"--iterations",
help="number of iterations used for partialator run. Default = 1",
help="number of iterations used for partialator run. Default = 1.",
type=int,
default=1
)
parser.add_argument(
"-c",
"--cell_file",
help="path to CrystFEL cell file for partialator",
help="path to CrystFEL cell file for partialator.",
type=os.path.abspath,
required=True
)
parser.add_argument(
"-b",
"--bins",
help="number of resolution bins to use. Should be more than 20. Default = 20",
help="number of resolution bins to use. Should be more than 20. Default = 20.",
type=int,
default=20
)
parser.add_argument(
"-r",
"--resolution",
help="high res limit - need something here. Default set to 1.3",
help="high res limit - need something here. Default set to 1.3.",
type=float,
default=1.3
)
parser.add_argument(
"-a",
"--max_adu",
help="maximum detector counts to allow. Default is 12000",
type=int,
default=12000
help="maximum detector counts to allow. Default is 12000.",
type=int
)
args = parser.parse_args()
# run main