def __init__(self, system, database, server_name=None, host=None, port=0):
self.system = system
self.db = database
self.server_name = server_name
self.host = host
self.port = port
self.connect_manager = ConnectManager(self.db)
def __init__(self, system, database, server_name=None, host=None, port=0):
self.system = system
self.db = database
self.server_name = server_name
self.host=host
self.port=port
self.connect_manager = ConnectManager(self.db)
class ConnectServer(object):
'''
Server which receives requests from, and passes connect jobs to the workers
The server also receives minima and transition states from the workers
and adds them to the database.
Parameters
----------
system : pygmin.system.BaseSystem
system class to process
database : pygmin.storage.Database
working database
server_name : string, optional
Unique name for clients to connect to this server on current host
(objid for pyros). None for random
host : string, optional
host to setup server. default is localhost which does not allow connections
from remote machines
port : integer, optional
port to listen for connections
See Also
--------
ConnectWorker
pygmin.landscape.ConnectManager
'''
def __init__(self, system, database, server_name=None, host=None, port=0):
self.system = system
self.db = database
self.server_name = server_name
self.host=host
self.port=port
self.connect_manager = ConnectManager(self.db)
def set_connect_manager(self, connect_manager):
"""add a custom connect manager
the connect manager decides which connect jobs should be performed
"""
self.connect_manager = connect_manager
# def set_emax(self, Emax):
# raise Exception("set_emax is not implemented yet in the new ConnectManager scheme")
# self.Emax = None
def get_connect_job(self, strategy="random"):
''' get a new connect job '''
min1, min2 = self.connect_manager.get_connect_job(strategy)
return min1._id, min1.coords, min2._id, min2.coords
def get_system(self):
''' provide system class to worker '''
return self.system
def add_minimum(self, E, coords):
''' called by worker if a new minimum is found
Returns
-------
ID : global id of minimum added.
'''
print "a client found a minimum", E
m = self.db.addMinimum(E, coords)
return m._id
def add_ts(self, id1, id2, E, coords, eigenval=None, eigenvec=None):
'''called by worker if a new transition state is found
Parameters
----------
id1, id2 : int
The server-side (global) ID's of the minima on either side of the transition state.
The worker is responsible for knowing the global id of the minima. This ID is returned
to the worker when a minimum is added
E : float
energy of transition state
coords : array
coordinates of transition state
Returns
-------
ID : global id of transition state added
'''
print "a client found a transition state", E
# min1 = self.db.session.query(Minimum).filter(Minimum._id == id1).one()
# min2 = self.db.session.query(Minimum).filter(Minimum._id == id2).one()
min1 = self.db.getMinimum(id1)
min2 = self.db.getMinimum(id2)
ts = self.db.addTransitionState(E, coords, min1, min2, eigenval=eigenval, eigenvec=eigenvec)
return ts._id
def run(self):
''' start the server and listen for incoming connections '''
print "Starting Pyros daemon"
daemon=Pyro4.Daemon(host=self.host, port=self.port)
# make the connect_server available to Pyros childs
uri=daemon.register(self, objectId=self.server_name)
print "The connect server can be accessed by the following uri: ", uri
print "Ready to accept connections"
daemon.requestLoop()
class ConnectServer(object):
'''
Server which receives requests from, and passes connect jobs to the workers
The server also receives minima and transition states from the workers
and adds them to the database.
Parameters
----------
system : pygmin.system.BaseSystem
system class to process
database : pygmin.storage.Database
working database
server_name : string, optional
Unique name for clients to connect to this server on current host
(objid for pyros). None for random
host : string, optional
host to setup server. default is localhost which does not allow connections
from remote machines
port : integer, optional
port to listen for connections
See Also
--------
ConnectWorker
pygmin.landscape.ConnectManager
'''
def __init__(self, system, database, server_name=None, host=None, port=0):
self.system = system
self.db = database
self.server_name = server_name
self.host = host
self.port = port
self.connect_manager = ConnectManager(self.db)
def set_connect_manager(self, connect_manager):
"""add a custom connect manager
the connect manager decides which connect jobs should be performed
"""
self.connect_manager = connect_manager
# def set_emax(self, Emax):
# raise Exception("set_emax is not implemented yet in the new ConnectManager scheme")
# self.Emax = None
def get_connect_job(self, strategy="random"):
''' get a new connect job '''
min1, min2 = self.connect_manager.get_connect_job(strategy)
return min1._id, min1.coords, min2._id, min2.coords
def get_system(self):
''' provide system class to worker '''
return self.system
def add_minimum(self, E, coords):
''' called by worker if a new minimum is found
Returns
-------
ID : global id of minimum added.
'''
print "a client found a minimum", E
m = self.db.addMinimum(E, coords)
return m._id
def add_ts(self, id1, id2, E, coords, eigenval=None, eigenvec=None):
'''called by worker if a new transition state is found
Parameters
----------
id1, id2 : int
The server-side (global) ID's of the minima on either side of the transition state.
The worker is responsible for knowing the global id of the minima. This ID is returned
to the worker when a minimum is added
E : float
energy of transition state
coords : array
coordinates of transition state
Returns
-------
ID : global id of transition state added
'''
print "a client found a transition state", E
# min1 = self.db.session.query(Minimum).filter(Minimum._id == id1).one()
# min2 = self.db.session.query(Minimum).filter(Minimum._id == id2).one()
min1 = self.db.getMinimum(id1)
min2 = self.db.getMinimum(id2)
ts = self.db.addTransitionState(E,
coords,
min1,
min2,
eigenval=eigenval,
eigenvec=eigenvec)
return ts._id
def run(self):
''' start the server and listen for incoming connections '''
print "Starting Pyros daemon"
daemon = Pyro4.Daemon(host=self.host, port=self.port)
# make the connect_server available to Pyros childs
uri = daemon.register(self, objectId=self.server_name)
print "The connect server can be accessed by the following uri: ", uri
print "Ready to accept connections"
daemon.requestLoop()