Module sp_filter
Client-server based cutoff calculator.
This module is based on the CutoffCalculator class, which is a
stateful cutoff calculator. This class may be glued to an HTTP server via
the CutoffHTTPServer and CutoffHTTPRequestHandler classes. It subclass,
CutoffCalculatorClient, uses HTTP to connect to a server-based calculator
object.
The idea is that a single server can be shared by multiple subjobs for
the same parent docking job. The cutoff is initialized after an
"induction period" during which all poses are accepted; after
that, the cutoff is bumped a bit up or down depending on whether the
latest pose was accepted or rejected, in such a way that the acceptance
rate converges around the desired target (e.g. 10%).
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Pose
Pose(score, title)
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CutoffCalculator
A stateful cutoff calculator.
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CutoffCalculatorClient
Subclass of CutoffCalculator which acts as a proxy to a remote
CutoffCalculator, connecting via HTTP.
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CutoffHTTPRequestHandler
HTTP handler that dispatches GETs and POSTs to the appropriate
methods of the CutoffCalculator object.
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CutoffHTTPServer
HTTPServer subclass that also keeps track of a CutoffCalculator and
provides a mechanism for the request handler to tell the server to
stop.
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parse_path(path)
Parse a slash-delimited path in which the first element is the
"mode" and all the rest are the "args", returning
a tuple (mode, args). |
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CutoffCalculator
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start_server(args)
Start the cutoff server, which will run until it times out or a
client requests it to stop. |
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logger = log.get_output_logger("sp_filter")
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__package__ = 'schrodinger.application.glide.packages' |
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Parse a slash-delimited path in which the first element is the
"mode" and all the rest are the "args", returning a
tuple (mode, args). Example: "/foo/x/y" -> ("foo",
["x", "y"])
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get_cutoff_calculator(config_filename)
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Create a cutoff calculator. Depending on the contents of the config
file, this may be a CutoffCalculator or a CutoffCalculatorClient.
- Parameters:
config_filename (str) - configuration file to use. It should be a JSON file containing a
dict with the arguments to the constructor of the cutoff
calculator class to use - Returns: CutoffCalculator
- cutoff calculator
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Start the cutoff server, which will run until it times out or a client
requests it to stop.
- Parameters:
args (command-line arguments) - argparse.Namespace
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