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.
|
__init__(self,
jobname,
clobber=False)
x.__init__(...) initializes x; see help(type(x)) for signature |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
loadSkippedLigs(self,
filename) |
|
|
|
|
|
dumpPoses(self,
fh,
nreport,
nosort) |
|
|
|
dumpSkippedLigs(self,
fh) |
|
|
|
|
|
|
|
|
|
setStateValue(self,
key,
value) |
|
|
|
getStateValue(self,
key,
default=None) |
|
|
|
cleanUp(self,
leave_empty_file) |
|
|
Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__new__ ,
__reduce__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
|