## Python syntax used in BornAgain scripts

We shall employ the same reflectometry script as on the preceding page to explain some Python syntax used in BornAgain scripts.

For easy reference, here again the full script:

auto/Examples/specular/AlternatingLayers1.py

We shall now explain the code.

The shebang line

    #!/usr/bin/env python3

makes the script executable under Unix-like operating systems, see the chapter on how to run scripts from the command line. It is ignored otherwise, as is all text from the comment start character `#` to the end of the line.

Lines between triple quotes

    """
    Text, text, text
    """

are also comments.

The function

    def get_sample():
        ...

constructs and returns a sample model. For more reference, see the sample section.

The function

    def get_simulation(sample):
        ...

constructs and returns a simulation model. For more information, see the simulation section, and specifically the reflectometry reference.

The clause

    if __name__ == '__main__':

ensures that the following statements are only executed if the script is called directly, as a “main” program. This precaution is required by the GUI, where scripts can be imported without being immediately executed.

The lines

    sample = get_sample()
    simulation = get_simulation(sample)
    result = simulation.simulate()

construct a sample and instrument model and run a simulation. The function `simulate()` returns a Datafield instance.

The line

    bp.plot_simulation_result(result)

plots the simulated reflectivity as function of the incident glancing angle, using MatPlotLib.

- Introduction
  - Functionality overview
  - Architectural overview

- Install or build
  - Install Python
    - Python on Linux
    - Python on Windows
    - Python on Mac
    - Python modules
  - Install BornAgain
    - Linux
    - Windows
    - MacOS
    - Development snapshot
  - Build BornAgain
    - Unix
      - Install third-party software
      - Get the source
      - Build and install BornAgain
      - Run a first simulation
    - Windows

- Graphical user interface
  - Quick Start
  - GUI overview
  - Fitting in the GUI

- Python scripting
  - Run a script
  - Understand the syntax
  - Fitting
  - Upgrading

- Reference
  - Simulation model
    - Simulation classes
      - Specular
        - Example
      - Scattering
        - Examples
          - GISAS
          - without DWBA terms
          - with specular peak
          - SAS
          - Polarized SANS
          - Monte-Carlo
      - Off-specular
        - Off-specular
      - Depth probe
        - Examples
          - Thin film
          - Transmitted modulus
          - Resonator
    - Common settings
      - Background
      - Options
        - Monte-Carlo
        - # threads
        - Average materials
        - Include specular
      - Progress monitor
  - Instrument model
    - Beam
      - Footprint
      - Beam divergence
    - Scan
      - TOF reflectometry
      - TOF resolution
      - Beam Angular Spread
      - Beam Wavelength Spread
    - Detectors
      - SphericalDetector
      - 2d detector resolution
      - Offspec detector
    - Neutron polarization
      - Spin asymmetry example
    - Examples
      - 2D detector resolution
      - Neutron polarization
        - Magnetic layer
        - Ditto, realistic instrument
        - Polarized scattering
  - Sample model
    - Materials
      - Magnetization
    - Sample
      - Layer
      - LayerStack
      - Layout
    - Roughness
      - Interface model
      - Transient
      - Cross-correlation
      - Examples
        - GISAS
        - Reflectivity
    - Particles
      - Form factor
        - Hard particles
          - Bipyramid4
          - Box
          - CantellatedCube
          - Cone
          - Cylinder
          - Dodecahedron
          - EllipsoidalCylinder
          - HemiEllipsoid
          - HorizontalCylinder
          - Icosahedron
          - PlatonicOctahedron
          - PlatonicTetrahedron
          - Prism3
          - Prism6
          - Pyramid2
          - Pyramid3
          - Pyramid4
          - Pyramid6
          - Sphere
          - SphericalSegment
          - Spheroid
          - SpheroidalSegment
          - TruncatedCube
        - Ripples
          - Bar ripple
          - Cosine ripple
          - Sawtooth ripple
        - Soft particles
          - FuzzySphere
          - Gauss
        - Custom formfactor
      - Composite particles
        - Core and shell
        - Compound particle
        - Mesocrystal
      - Examples
        - Compound particle
        - Core and shell
        - Crossing an interface
        - Mesocrystal
        - Rotation example
        - Dense cylinders
        - Dense hemispheres
        - Uncorrelated mixture
        - Polydispersity
    - Particle assemblies
      - Grating
        - 1D lattice
        - Cosine ripples in a lattice
        - Triangular ripples in a lattice
      - 2D lattice
        - Square lattice
        - Lattice orientation distribution
        - Finite square lattice
        - Lattice with basis
        - Multi-layer lattice
        - Position variance
      - Radial paracrystal
      - 2D paracrystal
      - Others
        - Size-distribution model: decoupling approximation
        - Size-distribution model: local monodisperse approximation
        - Size-distribution model: size-spacing coupling approximation
  - Model modifiers
    - Rotation
    - Distributions
  - Data types
    - Class Datafield
      - Export
      - Find intensity peaks
    - SLD profile
      - SLD profile with rough interfaces
      - SLD profile with a sliced particle layer
  - Plotting
    - Functions
    - Configuration
    - Heat map
    - LaTeX markup
    - Export
    - Plot axes in different units
  - Fitting
    - Data import
      - TIFF
    - Minimizer settings
    - Multiple datasets
    - Examples
      - Fitting with masks
      - Custom objective function
      - Fitting along slices
      - GISAS 2D fits
      - Experiment at GALAXI
      - Find background
      - Minimizer settings
      - Bayesian Sampling
      - Consecutive fitting
      - Considering uncertainties
      - External minimizer
      - External minimizer: plotting
      - Simultaneous fit of two datasets
      - Spin asymmetry fit example
      - Reflectometry: Fit Pt layer
      - Reflectometry: Fit honeycomb

- Literature
  - Babonneau2010
  - Babonneau2013
  - Croset2021
  - Lazzari2002
  - Lazzari2006
  - Pospelov2020
  - Renaud2009
  - Sears1992
  - Wuttke2021

- How to
  - Get announcements
  - Solve known problems
    - Set Python environmental variables under Windows
  - Request help or report bugs
  - Cite BornAgain

- Developers' corner
  - Configure
    - Build
    - Pyenv
  - Develop
    - Manual checks
    - Debug
    - Webdoc
    - Code analyses
  - Release
    - Manual GUI test