Package schrodinger :: Package application :: Package glide :: Package packages :: Module driver :: Class GlideDB
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Class GlideDB

object --+
         |
        GlideDB

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.

Instance Methods [hide private]
 
__init__(self, jobname, clobber=False)
x.__init__(...) initializes x; see help(type(x)) for signature
 
__enter__(self)
 
__exit__(self, *a)
 
addLigand(self, lignum)
 
open(self)
 
createTables(self)
 
commit(self)
 
close(self)
 
loadPoses(self, subjob)
 
loadSkippedLigs(self, filename)
 
getPoseCount(self)
 
dumpPoses(self, fh, nreport, nosort)
 
dumpSkippedLigs(self, fh)
 
countSkippedLigs(self)
 
getStats(self)
 
getDoneLigs(self)
 
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__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, jobname, clobber=False)
(Constructor)

 

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__
(inherited documentation)