McStasScript
McStas API for creating and running McStas/McXtrace instruments from Python scripting.
Prototype for an API that allows interaction with McStas through an interface like Jupyter Notebooks, created under WP5 of PaNOSC.
Full documentation can be found here!
Installation
McStasScript can be installed from conda-forge or pip:
conda install -c conda-forge mcstasscript
pip install McStasScript --upgrade
When McStas is installed via conda-forge, McStasScript is included automatically.
Configuration
In most cases, no configuration is needed. If the MCSTAS environment variable is set (e.g., after running eval $(mcstas)), McStasScript will automatically detect the McStas installation. If mcrun is available on the PATH, it will be used directly.
For manual configuration or troubleshooting, see the online documentation.
Instructions for basic use
This section provides a quick way to get started; a more in-depth tutorial using Jupyter Notebooks is available in the tutorial folder.
Import the package:
import mcstasscript as ms
Create a new instrument (use McXtrace_instr for McXtrace):
my_instrument = ms.McStas_instr("my_instrument")
Add components:
my_source = my_instrument.add_component("source", "Source_simple")
my_source.show_parameters() # Show available parameters for Source_simple
Set parameters as attributes, in jupyter notebooks these are autocompleted if the object has been created:
my_source.set_parameters(xwidth=0.12, yheight=0.12,
lambda0=3, dlambda=2.2,
focus_xw=0.05, focus_yh=0.05)
Add a monitor (notice the use of single and double quotes to set a string literal in the file):
PSD = my_instrument.add_component("PSD", "PSD_monitor", AT=[0,0,1], RELATIVE="source")
PSD.set_parameters(xwidth=0.1, yheight=0.1, nx=5, ny=5, filename='"PSD.dat"')
Set simulation options and run:
my_instrument.settings(output_path="first_run", ncount=1E7)
data = my_instrument.backengine()
Access and manipulate results:
data[0].Intensity
Plot results:
ms.make_sub_plot(data)
Widgets in Jupyter Notebooks
Interactive widget interface for plotting:
import mcstasscript.jb_interface as ms_widget
ms_widget.show(data)
Interactive simulation widget (alternative to backengine):
ms_widget.show(instr)
Programmatic access to widget-generated data:
sim_widget = ms_widget.SimInterface(instr)
sim_widget.show_interface()
data = sim_widget.get_data()
Use existing instrument files
The McStas package now includes the ability to create McStasScript python files from instrument files.
mcstas-pygen my_isntrument.instr
This can also be done through mcgui using the Pylab button.
Method overview
Instrument (McStas_instr / McXtrace_instr)
McStas_instr(name) # Returns instrument object
├── show_parameters() # Print instrument parameters
├── show_settings() # Print current run settings
├── show_variables() # Print declared and user variables
├── show_components() # Print components and their positions
├── show_instrument() # Show instrument in mcdisplay
├── show_diagram() # Show instrument layout diagram
├── set_parameters(**kwargs) # Set instrument parameters (dict or kwargs, autocompletes)
├── available_components([category]) # Show available components
├── component_help(name) # Show parameters for a component type
├── add_component(name, type, **kwargs) # Add component, returns component object
├── copy_component(name, original, **kwargs) # Copy a component
├── remove_component(name) # Remove a component
├── move_component(name, before=None, after=None) # Move component
├── get_component(name) # Get component object by name
├── get_last_component() # Get last added component
├── add_parameter(*args, **kwargs) # Add instrument parameter
├── add_declare_var(type, name, **kwargs) # Add declared variable
├── add_user_var(type, name, **kwargs) # Add user variable
├── append_declare(string) # Append raw C code to declare section
├── append_initialize(string) # Append raw C code to initialize section
├── append_finally(string) # Append raw C code to finally section
├── write_full_instrument() # Write instrument file to disk
├── show_diagram() # Show instrument layout diagram
├── settings(**kwargs) # Set simulation options
├── backengine() # Run simulation, returns data
├── run_to(component, ...) # Set simulation end point (saves MCPL dump)
├── run_from(component, ...) # Set simulation start point (loads MCPL dump)
└── show_dumps() # Show available beam dumps
Component (returned by add_component)
Component parameters are set directly as attributes. Additional methods:
├── show_parameters() # Show component parameters
├── set_parameters(**kwargs) # Set parameters (dict or kwargs)
├── set_AT(list 3, RELATIVE) # Set position
├── set_ROTATED(list 3, RELATIVE) # Set rotation
├── set_RELATIVE(name) # Set position and rotation reference
├── set_WHEN(string) # Set WHEN condition
├── append_EXTEND(string) # Append C code to EXTEND section
├── set_GROUP(string) # Set GROUP name
├── set_JUMP(string) # Set JUMP target
├── set_SPLIT(value) # Set SPLIT value
├── set_comment(string) # Set component comment
├── set_c_code_before(string) # Set C code before component
├── set_c_code_after(string) # Set C code after component
└── print_long() # Print full component info
Placement attributes (AT, ROTATED, RELATIVE, WHEN, EXTEND, GROUP, JUMP, SPLIT) can also be set via keyword arguments in add_component().
Package-level functions
ms.load_data(folder) # Load simulation data from a McStas output folder
ms.load_metadata(folder) # Load metadata (mccode.sim) from a data folder
ms.load_monitor(metadata, folder) # Load single monitor data
ms.name_search(name, data_list) # Find dataset by component or filename
ms.name_plot_options(name, data_list, **kwargs) # Set plot options for a dataset
Plotting
ms.make_plot(data_list) # Plot each dataset in a separate figure
ms.make_sub_plot(data_list) # Plot all datasets as subplots in one figure
ms.make_animation(data_list) # Create an animation from a list of datasets
Diagnostics
ms.Diagnostics(instr) # Beam and intensity diagnostics tool
Tools
ms.Cryostat() # Cryostat builder for Union-based instruments
ms.has_component(instr, ...) # Check if instrument has a given component
ms.has_parameter(instr, ...) # Check if instrument has a given parameter
ms.all_parameters_set(instr) # Check if all parameters have values
Configuration
ms.Configurator()
├── set_mcrun_path(path) # Set path to mcrun directory
├── set_mcstas_path(path) # Set path to McStas resources
├── set_mxrun_path(path) # Set path to mxrun directory
├── set_mcxtrace_path(path) # Set path to McXtrace resources
└── set_line_length(length) # Set maximum line length for output
Jupyter widgets
import mcstasscript.jb_interface as ms_widget
ms_widget.show(data_or_instr) # Show plot or simulation widget
ms_widget.SimInterface(instr) # Programmatic simulation widget
ms_widget.PlotInterface(data) # Programmatic plotting widget
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Release files for McStasScript 0.0.86
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