BioSimSpace.Protocol.Custom¶

class BioSimSpace.Protocol.Custom(config)[source]¶

A class for storing custom protocols.

__init__(config)[source]¶

Constructor.

Parameters:: config (str, [ str ]) – The custom protocol configuration.

Methods

`__init__`(config)	Constructor.
`getConfig`()	Return the custom configuration.
`getRestraint`()	Return the type of restraint.
`setConfig`(config)	Set the custom configuration.

getConfig()[source]¶

Return the custom configuration.

getRestraint()¶

Return the type of restraint.

Returns:: restraint – The type of restraint, either a keyword or a list of atom indices.
Return type:: str, [int]

setConfig(config)[source]¶

Set the custom configuration.

Parameters:: config (str, [ str ]) – A config file, or list of configuration strings.