mcstasscript.interface.instr.McStas_instr

mcstasscript.interface.instr.McStas_instr

class mcstasscript.interface.instr.McStas_instr(name, **kwargs)

Main class for writing a McStas instrument using McStasScript

Initialization of McStas_instr sets the name of the instrument file and its methods are used to add all aspects of the instrument file. The class also holds methods for writing the finished instrument file to disk and to run the simulation.

name

name of instrument file

Type

str

author

name of user of McStasScript, written to the file

Type

str, default “Python Instrument Generator”

origin

origin of instrument file (affiliation)

Type

str, default “ESS DMSC”

input_path

directory in which simulation is executed, uses components found there

Type

str, default “.”

output_path

directory in which the data is written

Type

str

executable_path

absolute path of mcrun command, or empty if it is in path

Type

str

parameters

contains all input parameters to be written to file

Type

ParameterContainer

declare_list

contains all declare parrameters to be written to file

Type

list of DeclareVariable instances

initialize_section

string containing entire initialize section to be written

Type

str

trace_section

string containing trace section (OBSOLETE)

Type

str

finally_section

string containing entire finally section to be written

Type

str

component_list

list of components in the instrument

Type

list of component instances

component_class_lib

dict of custom Component classes made at run time

Type

dict

component_reader

ComponentReader instance for reading component files

Type

ComponentReader

package_path

Path to mccode package containing component folders

Type

str

run_settings

Dict of options set with settings

Type

dict

data

List of McStasData objects produced by last run

Type

list

add_parameter(*args, \*\*kwargs)

Adds input parameter to the define section

add_declare_var(type, name)

Add declared variable called name of given type to the declare section

append_declare(string)

Appends to the declare section

append_initialize(string)

Appends a string to the initialize section, then adds new line

append_initialize_no_new_line(string)

Appends a string to the initialize section

append_finally(string)

Appends a string to finally section, then adds new line

append_finally_no_new_line(string)

Appends a string to finally section

append_trace(string)

Obsolete method, add components instead (used in write_c_files)

append_trace_no_new_line(string)

Obsolete method, add components instead (used in write_c_files)

available_components(string)

Shows available components in given category

component_help(name)

Shows help on component of given name

add_component(instance_name, component_name, \*\*kwargs)

Add a component to the instrument file

copy_component(new_component_name, original_component, \*\*kwargs)

Makes a copy of original_component with new_component_name

get_component(instance_name)

Returns component instance with name instance_name

get_last_component()

Returns component instance of last component

print_component(instance_name)

Prints an overview of current state of named component

print_component_short(instance_name)

Prints short overview of current state of named component

show_components()

Prints overview of postion / rotation of all components

write_c_files()

Writes c files for %include in generated_includes folder

write_full_instrument()

Writes full instrument file to current directory

show_instrument()

Shows instrument using mcdisplay

set_parameters(dict)

Inherited from libpyvinyl BaseCalculator

settings(**kwargs)

Sets settings for performing simulation

backengine()

Performs simulation, saves in data attribute

run_full_instrument(**kwargs)

Deprecated method for performing the simulation

interface()

Shows interface with jupyter notebook widgets

get_interface_data()

Returns data set from latest simulation in widget

__init__(name, **kwargs)

Initialization of McStas Instrument

Parameters

  • name (str) – Name of project, instrument file will be name + “.instr”

  • arguments (keyword) –

    parametersParameterContainer or CalculatorParameters

    Parameters for this instrument

    dumpfile: str

    File path to dump file to be loaded

    authorstr

    Name of author, written in instrument file

    originstr

    Affiliation of author, written in instrument file

    executable_pathstr

    Absolute path of mcrun or empty if already in path

    input_pathstr

    Work directory, will load components from this folder

Methods

__init__(name, **kwargs)

Initialization of McStas Instrument

add_component(name[, component_name, ...])

Method for adding a new Component instance to the instrument

add_declare_var(*args, **kwargs)

Method for adding declared variable to instrument

add_parameter(*args, **kwargs)

Method for adding input parameter to instrument

add_search(statement[, SHELL])

Adds a search statement to the instrument

add_user_var(*args, **kwargs)

Method for adding user variable to instrument

append_declare(string)

Method for appending code to the declare section directly

append_finally(string)

Method for appending code to the finally section of instrument

append_finally_no_new_line(string)

Method for appending code to the finally section of instrument

append_initialize(string)

Method for appending code to the initialize section

append_initialize_no_new_line(string)

Method for appending code to the initialize section, no new line

append_trace(string)

Appends code to trace section, only used in write_c_files

append_trace_no_new_line(string)

Appends code to trace section, only used in write_c_files

available_components(*args)

Helper method that shows available components to the user

backengine()

Runs instrument with McStas / McXtrace, saves data in data attribute

check_for_errors()

Methods that checks for common McStas errors

check_for_relative_errors([start_ref, ...])

Method for checking if RELATIVE locations does not contain unknown references

clear_search()

Clears the instrument of all search statements

component_help(name, **kwargs)

Method for showing parameters for a component before adding it to the instrument

copy_component(name[, original_component, ...])

Method for adding a copy of a Component instance to the instrument

dump([fname])

Dump class instance to file.

from_dump(dumpfile)

Load a dill dump from a dumpfile.

get_component(name)

Get the component instance of component with specified name

get_component_subset_index_range([...])

Provides start and end index for components in run_from to run_to range

get_last_component()

Get the component instance of last component in the instrument

has_errors()

Method that returns true if errors are found in instrument

init_parameters()

Create empty ParameterContainer for new instrument

make_component_subset()

Uses run_from and run_to specifications to extract subset of components

move_component(name[, before, after])

Moves component with given name to before or after

move_user_vars_to_declare()

Moves all uservars to declare for compatibility with McStas 2.X

print_component(name)

Method for printing summary of contents in named component

print_component_short(name)

Method for printing summary of contents in named component

print_components([line_length])

Obsolete method, use show_components instead

read_instrument_file()

Reads current instrument file if it exists, otherwise creates one first

remove_component(name)

Removes component with given name from instrument

reset_parameters(value)

Resets the calculator parameters

reset_run_points()

Reset run_from and run_to points to the full instrument

run_from(component_ref[, run_name, tag])

Set limit for instrument, only run from given component, load MCPL ot start

run_full_instrument(**kwargs)

Runs McStas instrument described by this class, returns list of McStasData

run_to(component_ref[, run_name, comment])

Set limit for instrument, only run to given component, save MCPL there

saveH5(filename[, openpmd])

Not relevant, but required from BaseCalculator, will be removed

set_calculator_base_dir(value)

Set the calculator base directory

set_dependency(string)

Sets the DEPENDENCY line of instruments, expanding its system search

set_input(value)

Set the calculator input data.

set_instrument_base_dir(value)

Set the instrument base directory

set_output_data_types(value)

Set the calculator output data type.

set_output_filenames(value)

Set the calculator output filenames.

set_output_keys(value)

Set the calculator output keys.

set_parameters([args_as_dict])

Sets parameters contained in this calculator using dict or kwargs

settings([ncount, mpi, seed, force_compile, ...])

Sets settings for McStas run performed with backengine

settings_string()

Returns a string describing settings stored in this instrument object

show_analysis([variable])

show_components([line_length])

Method for printing overview of all components in instrument

show_diagram([analysis, variable, limits])

Shows diagram of component connections in insrument

show_dump(point[, run_name, tag])

show_dumps()

show_instrument([format, width, height, new_tab])

Uses mcdisplay to show the instrument in web browser

show_instrument_file([line_numbers])

Displays the current instrument file

show_parameters([line_length])

Method for displaying current instrument parameters

show_run_subset()

Shows current subset of instrument selected with run_from and run_to methods

show_search()

Shows all search statements on instrument level

show_settings()

Prints settings stored in this instrument object

show_variables()

Shows declared variables in instrument

subset_check(start_ref, end_ref)

Checks that when the instrument is broken into subsets, it is still valid

write_c_files()

Obsolete method for writing instrument parts to c files

write_full_instrument()

Method for writing full instrument file to disk

Attributes

base_dir

The base path for the output files of this calculator in consideration of instrument_base_dir and calculator_base_dir

calculator_base_dir

data

The alias of output.

input

instrument_base_dir

name

output

The output of this calculator

output_data_types

output_file_paths

The final output file paths considering base_dir

output_filenames

output_keys

output_path

parameters

classmethod from_dump(dumpfile: str)

Load a dill dump from a dumpfile.

Overwrites a libpyvinyl method to load McStas components

Parameters

dumpfile (str) – The file name of the dumpfile.

Returns

The calculator object restored from the dumpfile.

Return type

CalcualtorClass

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