Source code for base.events
"""Defines the EventBase class.
The EventBase class is defined here as a
template-class to derive events that can be stored
in user_events.py.
The class defines methods that will throw an error if
implemented wrongly, or are not implemented,
in the derived classes.
See Also
-----------
Module: user_events
"""
[docs]class EventBase:
"""Template class for events.
Stores a list of parameters
related to reaction events.
The class is only used as a parent, and is in this
sense purely abstract.
Attributes
-----------
params: dict
Parameter dict dumped at the beginning of the log.
alpha: int
The slowing down factor that is adsjusted when the reaction is accelerated.
This factor is set to 1 upon instantiation and varies periodically during simulation.
(See Module: NeighborKMC.base.basin)
diffev: bool
Is the event a diffusion event. This can be used to make special rules for diffusion events.
"""
def __init__(self, params={}, name='no-name'):
self.params = params
self.alpha = 1.
self.diffev = False
self.name = name
[docs] def possible(self, system, site, other_site):
"""Template method to determine if event is possible.
Method needs to be overridden in user_events.py.
Should return True if an event is possible on
site number i_site and possible a neighbor
site i_other, given the current site occupations.
Parameters
-----------
system: System
The system, which the simulation is performed on.
i_site: int
Index of site in the system.sites list.
i_other: int
Index of other/neighbor site in the system.sites list.
Returns
--------
possible: bool
True if event is possible on site-pair i_site and i_other.
False if event is impossible on site-pair i_site and i_other.
"""
raise NotImplementedError("""Called purely abstract
method possible() of Event""")
[docs] def get_rate(self, system, site, other_site):
"""Template method to determine the rate constant.
Method needs to be overridden in user_events.py.
Should return the reaction rate on site number
i_site, and i_other for multi-site reactions.
Parameters
-----------
system: System
The system, which the simulation is performed on.
i_site: int
Index of site in the system.sites list.
i_other: int
Index of other/neighbor site in the system.sites list.
Returns
--------
Rate constant of event: float
The rate-constant given the current occupation patterns around the
site-pair i_site and i_other.
"""
raise NotImplementedError("""Called purely abstract
method get_rate() of Event""")
[docs] def do_event(self, system, site, other_site):
"""Template method to perform the event.
Method needs to be overridden in user_events.py.
Should change system site coverages by changing
system.sites[i_site].covered and
system.sites[other_site].covered.
Parameters
-----------
system: System
The system, which the simulation is performed on.
i_site: int
Index of site in the system.sites list.
i_other: int
Index of other/neighbor site in the system.sites list.
"""
raise NotImplementedError("""Called purely abstract
method do_event() of Event""")
[docs] def get_involve_other():
"""Template method to decide if neighboring atoms are effected by event.
Method needs to be overridden in user_events.py.
Should return True if event effects neighboring atoms and False if not (e.g. single atom adsorption).
"""
raise NotImplementedError("""Called purely abstract
method get_involve_other() of Event""")
