hoomd.operation¶
Overview
Base class for all HOOMD computes. |
|
Represents operations that are added to an |
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Base class for all HOOMD tuners. |
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Base class for all HOOMD updaters. |
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Base class for all HOOMD analyzers. |
Details
Base classes for all HOOMD-blue operations.
-
class
hoomd.operation.
Operation
¶ Represents operations that are added to an
hoomd.Operations
object.Operations in the HOOMD-blue data scheme are objects that operate on a
hoomd.Simulation
object. They broadly consist of 5 subclasses:Updater
,Writer
,Compute
,Tuner
, andhoomd.integrate.BaseIntegrator
. All HOOMD-blue operations inherit from one of these five base classes. To find the purpose of each class see its documentation.-
classmethod
from_state
(state, final_namespace=None, **kwargs)¶ Creates a new object from another object’s state.
- Parameters
state (str or dict) – A state dictionary for an object of this type, a gsd file name, or a dictionary outputted by
hoomd.logging.Logger
.final_namespace (str) – The name for the key of the parent dictionary from where the state is stored. This is to allow for users to specify the property state information in the case where multiple of the same object have their state information stored in the same location. As an example if two LJ pair potentials are stored, the final namespaces would be
LJ
andLJ_1
.frame (int) – Only accepted when a gsd file name is passed for
state
. The frame to access the state information. Is keyword only.
-
property
state
¶ The state of the object.
Provides a mapping of attributes to their values for use in storing objects state for later object reinitialization. An object’s state can be used to create an identical object using the
from_state
method (some object require other parameters to be passed infrom_state
besides the state mapping).(
Loggable
: category=”state”)
-
classmethod
-
class
hoomd.operation.
Compute
¶ Base class for all HOOMD computes.
A compute is an operation which computes some property for another operation or use by a user.
Note
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
-
class
hoomd.operation.
Tuner
¶ Base class for all HOOMD tuners.
A tuner is an operation which tunes the parameters of another operation for performance or other reasons. A tuner does not modify the current microstate of the simulation. That is a tuner does not change quantities like temperature, particle position, or the number of bonds in a simulation.
Note
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
-
class
hoomd.operation.
Updater
(trigger)¶ Base class for all HOOMD updaters.
An updater is an operation which modifies a simulation’s state.
Note
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
-
class
hoomd.operation.
Writer
(trigger)¶ Base class for all HOOMD analyzers.
An analyzer is an operation which writes out a simulation’s state.
Note
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.