Package schrodinger :: Package infra :: Module mmim

Module mmim

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.

Classes

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MMIMArgList

MMIMDict
A class for setting and getting MMIM keyword values.

Functions

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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.

Variables

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_mmim_arg_handlers = {mm.MMIM_ARG_BOOL_END:(mm.MMIM_ARG_BOOL_B...

Function Details

[hide private]

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

Variables Details

[hide private]

_mmim_arg_handlers

Value:

{mm.MMIM_ARG_BOOL_END:(mm.MMIM_ARG_BOOL_BEGIN, "boolean", mmkv._conver
t_to_bool, mm.mmim_handle_get_arg_bool, mm.mmim_handle_set_arg_bool, N
one, None,), mm.MMIM_ARG_BOOL_ARRAY_END:(mm.MMIM_ARG_BOOL_ARRAY_BEGIN,
 "boolean array", mmkv._convert_to_bool_array, mm.mmim_handle_get_inde
xed_arg_bool, mm.mmim_handle_set_indexed_arg_bool, mm.mmim_handle_get_
indexed_arg_bool_count, mm.mmim_handle_set_indexed_arg_bool_count,), m
m.MMIM_ARG_FLOAT_END:(mm.MMIM_ARG_FLOAT_BEGIN, "float", float, mm.mmim
_handle_get_arg_float, mm.mmim_handle_set_arg_float, None, None,), mm.
...