openforcefield.typing.engines.smirnoff.parameters.ParameterList

class openforcefield.typing.engines.smirnoff.parameters.ParameterList(input_parameter_list=None)

Parameter list that also supports accessing items by SMARTS string.

Warning

This API is experimental and subject to change.

Methods

append(parameter)	Add a ParameterType object to the end of the ParameterList
clear(/)	Remove all items from list.
copy(/)	Return a shallow copy of the list.
count(value, /)	Return number of occurrences of value.
extend(other)	Add a ParameterList object to the end of the ParameterList
index(item)	Get the numerical index of a ParameterType object or SMIRKS in this ParameterList.
insert(index, parameter)	Add a ParameterType object as if this were a list
pop([index])	Remove and return item at index (default last).
remove(value, /)	Remove first occurrence of value.
reverse(/)	Reverse IN PLACE.
sort(*[, key, reverse])	Stable sort IN PLACE.
to_list([discard_cosmetic_attributes])	Render this ParameterList to a normal list, serializing each ParameterType object in it to dict.

__init__(input_parameter_list=None)

Initialize a new ParameterList, optionally providing a list of ParameterType objects to initially populate it.

Parameters

input_parameter_list: list[ParameterType], default=None

A pre-existing list of ParameterType-based objects. If None, this ParameterList will be initialized empty.

Methods

__init__([input_parameter_list])	Initialize a new ParameterList, optionally providing a list of ParameterType objects to initially populate it.
append(parameter)	Add a ParameterType object to the end of the ParameterList
clear(/)	Remove all items from list.
copy(/)	Return a shallow copy of the list.
count(value, /)	Return number of occurrences of value.
extend(other)	Add a ParameterList object to the end of the ParameterList
index(item)	Get the numerical index of a ParameterType object or SMIRKS in this ParameterList.
insert(index, parameter)	Add a ParameterType object as if this were a list
pop([index])	Remove and return item at index (default last).
remove(value, /)	Remove first occurrence of value.
reverse(/)	Reverse IN PLACE.
sort(*[, key, reverse])	Stable sort IN PLACE.
to_list([discard_cosmetic_attributes])	Render this ParameterList to a normal list, serializing each ParameterType object in it to dict.