schrodinger.infra.mmim module¶
Wrapper classes and functions for dealing with the MMIM library, which is used to read & write Impact and QSite input files.
See MMIMDict documentation for more details.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.infra.mmim.
MMIMArgList
(handle, key, converter=None, getter=None, setter=None, get_len=None, set_len=None)¶
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class
schrodinger.infra.mmim.
MMIMDict
(handle)¶ Bases:
UserDict.DictMixin
A class for setting and getting MMIM keyword values. Given an MMIM handle, create an instance as follows:
mydict = MMIMDict(mmim_handle)
Then set any keywords:
mydict[<keywordname>] = <value>
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keys
()¶
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schrodinger.infra.mmim.
convert_string
(key, value)¶ Given a key (as integer or string) and a value (string), try to convert the value to the proper type for this keyword. Return converted value. Will raise a KeyError if the wrong key value is specified.
NOTE: Used by glide.py