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.

Returns:

config – Return the list of configuration strings.

Return type:

[ str ]

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.