# singleCoreOperation
extraArgList = (str(cing.verbosity), inputDir, outputDir, '.', '.',
ARCHIVE_TYPE_BY_CH23_BY_ENTRY, PROJECT_TYPE_CING,
storeCING2db, CV_RANGES_STR, filterTopViolations,
filterVasco, singleCoreOperation)
if doScriptOnEntryList(
pythonScriptFileName,
entryListFileName,
self.results_dir,
processes_max=self.processes_max,
delay_between_submitting_jobs=
5, # why is this so long? because of time outs at tang?
max_time_to_wait=self.max_time_to_wait,
start_entry_id=0,
max_entries_todo=self.max_entries_todo,
extraArgList=extraArgList):
nTerror("Failed to doScriptOnEntryList")
return True
# end if
# end def
# end class.
if __name__ == '__main__':
max_entries_todo = 290 # DEFAULT: 10
runNrgCing(useClass=NmrRedo, max_entries_todo=max_entries_todo)
filterVasco = '0'
singleCoreOperation = '1'
# Tune this to:
# verbosity inputDir outputDir
# pdbConvention restraintsConvention archiveType projectType
# storeCING2db ranges filterTopViolations filterVasco
# singleCoreOperation
extraArgList = ( str(cing.verbosity), inputDir, outputDir,
'.', '.', ARCHIVE_TYPE_BY_CH23_BY_ENTRY, PROJECT_TYPE_CING,
storeCING2db, CV_RANGES_STR, filterTopViolations, filterVasco, singleCoreOperation)
if doScriptOnEntryList(pythonScriptFileName,
entryListFileName,
self.results_dir,
processes_max = self.processes_max,
delay_between_submitting_jobs = 5, # why is this so long? because of time outs at tang?
max_time_to_wait = self.max_time_to_wait,
start_entry_id = 0,
max_entries_todo = self.max_entries_todo,
extraArgList=extraArgList):
nTerror("Failed to doScriptOnEntryList")
return True
# end if
# end def
# end class.
if __name__ == '__main__':
max_entries_todo = 290 # DEFAULT: 10
runNrgCing( useClass = NmrRedo, max_entries_todo = max_entries_todo )
if 1:
nTmessage("Going to use specific entry_list_todo in prepare")
# self.entry_list_done = readLinesFromFile('/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv')
m = NrgCingRdb(schema=self.schema_id)
self.entry_list_done = m.getPdbIdList(fromCing=True)
self.entry_list_done = NTlist(*self.entry_list_done)
if 0:
self.entry_list_todo.clear()
# Random set of 10 from RECOORD still present in PDB.
# self.entry_list_todo += "1mmc 1ks0 1b4r 1nxi 1eww 1hp3 1iox 2u2f 1kjs 1orx".split()
self.entry_list_todo += "1brv".split()
if 0: # DEFAULT: 0
nTmessage("Going to use specific entry_list_todo in prepare")
self.entry_list_todo = readLinesFromFile(
"/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv"
)
self.entry_list_todo = NTlist(*self.entry_list_todo)
# end def
def setPossibleEntryList(self): # pylint: disable=W0221
pass
# end def
# end class.
if __name__ == "__main__":
max_entries_todo = 10 # DEFAULT: 10
runNrgCing(useClass=Recoord, max_entries_todo=max_entries_todo)
if 1:
nTmessage("Going to use specific entry_list_todo in prepare")
# self.entry_list_done = readLinesFromFile('/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv')
m = NrgCingRdb(schema=self.schema_id)
self.entry_list_done = m.getPdbIdList(fromCing=True)
self.entry_list_done = NTlist(*self.entry_list_done)
if 0:
self.entry_list_todo.clear()
# Random set of 10 from RECOORD still present in PDB.
# self.entry_list_todo += "1mmc 1ks0 1b4r 1nxi 1eww 1hp3 1iox 2u2f 1kjs 1orx".split()
self.entry_list_todo += "1brv".split()
if 0: # DEFAULT: 0
nTmessage("Going to use specific entry_list_todo in prepare")
self.entry_list_todo = readLinesFromFile(
'/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv'
)
self.entry_list_todo = NTlist(*self.entry_list_todo)
# end def
def setPossibleEntryList(self): # pylint: disable=W0221
pass
# end def
# end class.
if __name__ == '__main__':
max_entries_todo = 10 # DEFAULT: 10
runNrgCing(useClass=Recoord, max_entries_todo=max_entries_todo)
