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class pd3::python::core::Study 

class pd3::python::core::Study
  : public pd3.python.protocols.protoStudy

Python intermediate for libpd3._Study.

Allow for the construction of a system, specification of study conditions, and finally the abillity to run a study.

Summary

Members Descriptions
stress Property to set the stress states.
__init__(self, Optional[Callable[[State], Result]], Optional[np.ndarray]) General constructor for starting a study.
create_node(self, *args) → Node Overloaded function to create a node in the system.
connect(self, Node, Node, Burgers, Miller, Miller, int) Connects 2 given nodes with a dislocation segment.
remove_node(self, Node) Removes nodes and connecting segments.
remove_segment(self, Node, Node) Removes nodes segment between nodes.
load_file(self, str) Binds a pd3.Series from file path to the system.
load_protobuf(self, Series) Binds a pd3.Series protobuf to the system.
export_protobuf(self) → Series Creates a pd3.Series protobuf from system.
log(self, int, Optional[float], LoggerType, str) Writes data in a given format.
run(self) Runs the simulation to max_steps.
step(self) Runs a single simulation step.
study_condition(self, Callable[[State], Result]) Property to set a study condition callback.
line(study, Burgers, Miller, Miller) →Line Creates a dislocation utils.Line.

Members

stress

stress

Property to set the stress states.

Study.stress defines a property and a setter that sets a 3x3 stress tensor. Caution: Symmetry is not enforced.

__init__

__init__(self, study_condition : Optional[Callable[[State], Result]]=None, stress : Optional[np.ndarray]=None)

General constructor for starting a study.

Creates a Study and optionally seeds initial parameters:

Parameters

create_node

create_node(self, *args) → Node

Overloaded function to create a node in the system.

create_node will add a Node to the active pd3::System. For convenience, the function is overloaded as follows:

Parameters
  • np.ndarray The numpy vector where to create a node.

or

Parameters

  • np.ndarray The numpy vector where to create a node.

  • node_type The pd3::NodeType of this node.

or

Parameters
  • x y z The position in space which to create the node.

or

Parameters

  • x y z The position in space which to create the node.

  • node_type The pd3::NodeType of this node.

connect

connect(self, node_1 : Node, node_2 : Node, burgers : Burgers, plane : Miller=Miller((0, 0, 0)), normal : Miller=Miller((0, 0, 0)), cell : int=0)

Connects 2 given nodes with a dislocation segment.

Connects 2 dislocation nodes with a dislocation line segment specified by the arguments. It is important to note that the dislocation segment will be recorded relative to node_1.

Parameters

  • node_1 the leading node.

  • node_2 the trailing node.

  • burgers the relative burgers vector from node_1 to node_2.

  • plane the slip plane that the dislocation line is on.

  • normal the stacking fault normal for this segment.

  • cell the periodic cell reflection for the given segment.

remove_node

remove_node(self, node : Node)

Removes nodes and connecting segments.

Parameters
  • node the node to remove.

remove_segment

remove_segment(self, node : Node, connect : Node)

Removes nodes segment between nodes.

NOTE: This does not remove the nodes, just the segment.

Parameters

  • node a node of the segment to remove.

  • connect the other node of the segment to remove.

load_file

load_file(self, file_path : str)

Binds a pd3.Series from file path to the system.

Given a .pb or .pbtxt pd3.Series file path, this will bind the contents to the study system.

load_protobuf

load_protobuf(self, series : Series)

Binds a pd3.Series protobuf to the system.

Provided a pd3.Series protobuf, this binds the first state to the system.

Parameters
  • series A pd3.Series protobuf with the desired system.

export_protobuf

export_protobuf(self) → Series

Creates a pd3.Series protobuf from system.

Creates and binds the current system to a pd3.Series protobuf.

log

log(self, time_step : int=0, dt : Optional[float]=None, type : LoggerType=config_pb2.PROTO, location : str="/tmp/results")

Writes data in a given format.

Exports data (defaults to timestep 0) with a given type (of pd3::LoggerType, defaulting to PROTO) to a particular location.

run

run(self)

Runs the simulation to max_steps.

Runs the simulation to max_step prescribed in the config. Note that Study.study_condition will be called 1 + max_steps size, where the first call allows a chance for applying some sort of initial condition.

step

step(self)

Runs a single simulation step.

Runs a single simulation step. Note that Study.study_condition will only be called once.

study_condition

study_condition(self, callback : Callable[[State], Result])

Property to set a study condition callback.

Study.study_condition defines a property and a setter for establishing a callback during simulation. This callback can be used to prescribe boundary conditions, initial conditions, or to permute the system.

line

line(study, burgers : Burgers, plane : Miller=Miller((0, 0, 0)), normal : Miller=Miller((0, 0, 0))) → Line

Creates a dislocation utils.Line.

Creates a dislocation line with a set plane, stacking fault normal and burgers vector.

Parameters

  • study Self instance.

  • burgers The burgers vector that the line should have.

  • plane The slip plane that the dislocation line lies on.

  • normal The stacking fault normal of the provided line.