This class encapsulates access to a database used for holding state
while a distributed docking job is running. It has tables for ligands to
be processed, poses, skipped ligands, and a generic "state"
dictionary.
Objects of this class can be used as context managers. On entering,
the database is opened (created, if needed). On exiting, it is
closed.
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__init__(self,
jobname,
clobber=False)
x.__init__(...) initializes x; see help(type(x)) for signature |
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| loadSkippedLigs(self,
filename) |
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| dumpPoses(self,
fh,
nreport,
nosort) |
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| dumpSkippedLigs(self,
fh) |
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| setStateValue(self,
key,
value) |
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| getStateValue(self,
key,
default=None) |
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| cleanUp(self,
leave_empty_file) |
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Inherited from object:
__delattr__,
__format__,
__getattribute__,
__hash__,
__new__,
__reduce__,
__reduce_ex__,
__repr__,
__setattr__,
__sizeof__,
__str__,
__subclasshook__
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