mcstasscript.helper.managed_mcrun.ManagedMcrun

mcstasscript.helper.managed_mcrun.ManagedMcrun#

class mcstasscript.helper.managed_mcrun.ManagedMcrun(instr_name, **kwargs)#

A class for performing a mcstas simulation and organizing the data into python objects

ManagedMcrun is usually called by the instrument class of McStasScript but can be used independently. It runs the mcrun command using the system command, and if this is not in the path, the absolute path can be given in a keyword argument executable_path.

name_of_instrumentfile#

Name of instrument file to be executed

Type:

str

data_folder_name#

Name of datafolder mcrun writes to disk

Type:

str

ncount#

Number of rays to simulate

Type:

int

mpi#

Number of mpi threads to run

Type:

int

parameters#

Dictionary of parameter names and values for this simulation

Type:

dict

custom_flags#

Custom flags that are passed to the mcrun command

Type:

string

executable_path#

Path to the mcrun command (can be empty if already in path)

Type:

string

run_simulation()#

Runs simulation, returns list of McStasData instances

__init__(instr_name, **kwargs)#

Performs call to McStas with given options

Uses subprocess to call mcrun / mxrun to perform simulation of given instrument file.

Parameters:

  • instr_name (str) – Name of instrument file to be simulated

  • kwargs (keyword arguments) –

    output_pathstr, required

    Sets data_folder_name

    ncountint, default 1E6

    Sets ncount

    mpiint, default None

    Sets thread count, None to disable mpi

    gravitybool, default False

    Enables gravity if True

    parametersdict

    Sets parameters

    custom_flagsstr, default “”

    Sets custom_flags passed to mcrun

    executable_pathstr

    Path to mcrun command, “” if already in path

    increment_folder_namebool, default True

    If True, automatically appends output_path to make it unique

    force_compilebool, default True

    If True, forces compile. If False no new instrument is written

    run_folderstr

    Path to folder in which to run McStas

    openaccbool, default False

    If True, adds the –openacc flag to mcrun call

    NeXusbool, default False

    If True, adds the –format=NeXus to mcrun call

Methods

__init__(instr_name, **kwargs)

Performs call to McStas with given options

load_component_data()

Loads component data if file exists and the simulation has been performed

load_results(*args)

Method for loading data from a mcstas simulation

run_simulation()

Runs McStas simulation described by initializing the object
load_component_data()#

Loads component data if file exists and the simulation has been performed

Avoids reloading the data if it already has been loaded successfully

load_results(*args)#

Method for loading data from a mcstas simulation

Loads data on all monitors in a McStas data folder, and returns these as a list of McStasData objects.

Parameters:

argument (optional first) – path to folder from which data should be loaded

run_simulation()#

Runs McStas simulation described by initializing the object