schrodinger.application.livedesign.login module

Login page of the Maestro LiveDesign Export GUI.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.livedesign.login.Version(major, minor)

Bases: tuple

__contains__(key, /)

Return key in self.

__len__()

Return len(self).

count(value, /)

Return number of occurrences of value.

index(value, start=0, stop=9223372036854775807, /)

Return first index of value.

Raises ValueError if the value is not present.

major

Alias for field number 0

minor

Alias for field number 1

class schrodinger.application.livedesign.login.LDMode(value)[source]

Bases: str, enum.Enum

Enumerate the different LiveDesign modes.

DRUG_DISCOVERY = 'DRUG_DISCOVERY'
MATERIALS_SCIENCE = 'MATERIALS_SCIENCE'
schrodinger.application.livedesign.login.download_ld_client(url, tmp_dir, tar_filename, glob_path, timeout=None)[source]

Download the ld client under tmp_dir. :param url: url of the ld client :type url: str

Parameters

  • tmp_dir (str) – Directory under which ld client will be downloaded

  • tar_filename (str) – tar filename of the client (without .tar.gz ext)

  • glob_path (str) – glob path with wildcards (ex: ldclient-*)

  • timeout (int or NoneType) – Timeout for the download request (in secs)

Returns

Returns the path to the client

Return type

str

Raises

Exception – Raises RuntimeError in case of any error

schrodinger.application.livedesign.login.remove_previous_existing_files(dirpath, name)[source]

This helper method removed all files and directories matching the given name in the directory specified by dirpath.

Parameters

  • dirpath – Path to the directory under which the files needs to be removed

  • name (str) – to match any files or directories in the form of ‘name*’

schrodinger.application.livedesign.login.required_login_info_set()[source]

Checks and returns whether the required login information is set in order to setup LDClient

schrodinger.application.livedesign.login.get_ld_client_and_models()[source]

Returns a new instance of ldclient.client.LDClient() and ld_client.models using the login credentials and the host server set in the Live Design login panel. If the instantiation was unsuccessful, the first object in the tuple will hold the error msg - otherwise, it will hold an empty str.

Returns

tuple of error msg str, new instance of the LD Client, and the ldclient.models module

Return type

(str, ldclient.client.LDClient(), ldclient.models)

schrodinger.application.livedesign.login.format_host(host)[source]

Format the given host. Adds ‘https’ protocol if none, and removes any trailing ‘/’s

Parameters

host (str) – LiveDesign server host

Returns

Formatted host

Return type

str

schrodinger.application.livedesign.login.get_host()[source]
Returns

the host for the current session

Return type

str

schrodinger.application.livedesign.login.get_credentials()[source]
Returns

the username and password for the current session

Return type

tuple(str, str)

schrodinger.application.livedesign.login.get_username()[source]
Returns

the username for the current session

Return type

str

schrodinger.application.livedesign.login.get_LD_version(ld_client=None)[source]

Given an LDClient instance, return the LD version number.

Parameters

ld_client (ld_client.LDClient or NoneType) – optionally, an instance of the LDClient

Returns

the version of the LD server

Return type

Version

schrodinger.application.livedesign.login.get_LD_mode(ld_client)[source]

Given an LDClient instance, return the LD instance mode. For example, if the instance is in DRUG_DISCOVERY or MATERIAL_SCIENCE mode, etc. Note, that for older LD versions (< 8.6), there was no concept of a LD mode, and thus we assume the default mode of DRUG_DISCOVERY.

Parameters

ld_client (ld_client.LDClient) – instance of the LDClient

Returns

the server mode.

Return type

str