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.
- 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
- class schrodinger.infra.mmim.MMIMArgList(handle, key, converter=None, getter=None, setter=None, get_len=None, set_len=None)¶
Bases:
schrodinger.infra.mmkv.MMKVArgList
- __init__(handle, key, converter=None, getter=None, setter=None, get_len=None, set_len=None)¶
Create an instance from the MMKV/MMIM handle and key (int or string).
Takes functions to get and set indexed values, and a function to determine the length. If these are not provided, they are looked up based on the key provided.
get_len and set_len methods should be defined for array types only.
- class schrodinger.infra.mmim.MMIMDict(handle)¶
Bases:
collections.abc.MutableMapping
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>
- __init__(handle)¶
Create an instance from the given MMIM handle.
- keys() a set-like object providing a view on D's keys ¶
- __len__()¶