Class RunThread

source code

To Do: implement that as JobSlave instead

Instance Methods

[hide private]

__init__(self, cmd, owner, finp=None, log=0, host=None, verbose=1, **kw)

run(self)
Run HEX job.

done(self)
HEX job done.

failed(self)
If HEX job fails

__hackHexOut(self, nRec, nLig, fout)
Replace current model numbers in HEX out file by given nRec and nLig.

Inherited from threading.Thread: __repr__, getName, isAlive, isDaemon, join, setDaemon, setName, start

Inherited from threading.Thread (private): _set_daemon

Inherited from threading._Verbose (private): _note

Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __str__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, cmd, owner, finp=None, log=0, host=None, verbose=1, **kw)
(Constructor)

source code

Parameters:

cmd (str) - command to execute
owner (Docker instance) - Docker job to run to run
finp (str) - hex macro file (default: None)
log (1|0) - write log file (default: 0)
host (str) - host to run jon on (default: None, localhost)
kw (key=value) - optional key/value pairs

Overrides: threading.Thread.__init__

run(self)

source code

Run HEX job.

Raises:

DockerError - if HEX exists with error

Overrides: threading.Thread.run

done(self)

source code

HEX job done.

failed(self)

source code

If HEX job fails

__hackHexOut(self, nRec, nLig, fout)

source code

Replace current model numbers in HEX out file by given nRec and nLig. Only to be used with one-against-one dockings because all ReceptorModel and LigandModel entries are replaced by nRec, nLig.

Parameters:

nRec (int) - receptor number
nLig (int) - ligand number
fout (str) - name of existing out file, is overwritten

Class RunThread

__init__(self, cmd, owner, finp=None, log=0, host=None, verbose=1, **kw) (Constructor)

run(self)

done(self)

failed(self)

__hackHexOut(self, nRec, nLig, fout)

init(self, cmd, owner, finp=None, log=0, host=None, verbose=1, **kw)
(Constructor)