def __init__(self,
latency=1.0,
name="",
pars=None,
dopbc=True,
active=np.array([-1]),
interface=None):
"""Initialises FFSocket.
Args:
latency: The number of seconds the socket will wait before updating
the client list.
name: The name of the forcefield.
pars: A dictionary used to initialize the forcefield, if required.
Of the form {'name1': value1, 'name2': value2, ... }.
dopbc: Decides whether or not to apply the periodic boundary conditions
before sending the positions to the client code.
interface: The object used to create the socket used to interact
with the client codes.
"""
# a socket to the communication library is created or linked
super(FFSocket, self).__init__(latency, name, pars, dopbc, active)
if interface is None:
self.socket = InterfaceSocket()
else:
self.socket = interface
self.socket.requests = self.requests
def fetch(self):
"""Creates a ForceSocket object.
Returns:
A ForceSocket object with the correct socket parameters.
"""
if self.threaded.fetch() == False:
raise ValueError("FFSockets cannot poll without threaded mode.")
# just use threaded throughout
return FFSocket(
pars=self.parameters.fetch(),
name=self.name.fetch(),
latency=self.latency.fetch(),
dopbc=self.pbc.fetch(),
active=self.activelist.fetch(),
threaded=self.threaded.fetch(),
interface=InterfaceSocket(
address=self.address.fetch(),
port=self.port.fetch(),
slots=self.slots.fetch(),
mode=self.mode.fetch(),
timeout=self.timeout.fetch(),
match_mode=self.matching.fetch(),
exit_on_disconnect=self.exit_on_disconnect.fetch()))
def fetch(self):
"""Creates a ForceSocket object.
Returns:
A ForceSocket object with the correct socket parameters.
"""
return FFSocket(pars = self.parameters.fetch(), name = self.name.fetch(), latency = self.latency.fetch(), dopbc = self.pbc.fetch(),
interface=InterfaceSocket(address=self.address.fetch(), port=self.port.fetch(),
slots=self.slots.fetch(), mode=self.mode.fetch(), timeout=self.timeout.fetch() ) )
def __init__(self, pars=None, interface=None):
"""Initializes FFSocket.
Args:
pars: Optional dictionary, giving the parameters needed by the driver.
interface: Optional Interface object, which contains the socket.
"""
# a socket to the communication library is created or linked
super(FFSocket,self).__init__()
if interface is None:
self.socket = InterfaceSocket()
else:
self.socket = interface
if pars is None:
self.pars = {}
else:
self.pars = pars
self.request = None
def test_interface():
"""InterfaceSocket: startup."""
InterfaceSocket()
