sf-mx/crystfel_tools
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fixed if run partialator bug

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This commit is contained in:
Beale John Henry
2025-01-22 14:56:00 +01:00
parent f7c2b91630
commit b9b81e4778
1 changed files with 6 additions and 4 deletions
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10
reduction_tools/auto_process.py
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@@ -324,11 +324,12 @@ def main( script_dir, cwd, runs,
indexed = stream_df.indexed[0] indexed = stream_df.indexed[0]
# run partialator # run partialator
if indexed > 100: partialator_limit = 250
print( "indexed {0} - now run partialator and make mtz".format( indexed ) )
part_run_name = "{0}_merge".format( run_name ) part_run_name = "{0}_merge".format( run_name )
hkl_file = "{0}.hkl".format( part_run_name ) hkl_file = "{0}.hkl".format( part_run_name )
if indexed > partialator_limit:
print( "indexed {0} - now run partialator and make mtz".format( indexed ) )
if not os.path.isfile( "{0}/{1}/{2}".format( proc_dir, part_run_name, hkl_file ) ): if not os.path.isfile( "{0}/{1}/{2}".format( proc_dir, part_run_name, hkl_file ) ):
run_partialator( script_dir, part_run_name, stream_file, pointgroup, model, iterations, run_partialator( script_dir, part_run_name, stream_file, pointgroup, model, iterations,
cell_file, bins, resolution, max_adu, reservation cell_file, bins, resolution, max_adu, reservation
@@ -372,7 +373,8 @@ def main( script_dir, cwd, runs,
pass pass
else: else:
print( "partialator not run. < 100 indexed" ) print( "partialator not run. {0} > indexed".format( partialator_limit ) )
os.chdir( part_run_name )
try: try:
cc = scrub_cc( part_run_name ) cc = scrub_cc( part_run_name )
except AttributeError as e: except AttributeError as e: