# libpyvinyl - The python APIs for Virtual Neutron and x-raY Laboratory
[](https://github.com/PaNOSC-ViNYL/libpyvinyl/actions/workflows/ci.yml)
[](https://libpyvinyl.readthedocs.io/en/latest/?badge=latest)
[](https://doi.org/10.5281/zenodo.6558164)
## Overview
[GitHub repository](https://github.com/PaNOSC-ViNYL/libpyvinyl)
**Installation instructions** [here](INSTALL.md)
Requires:
```
python >= 3.8
```
Simulations provide invaluable insights to plan (before) and
understand (after) experiments at neutron and X-ray facilities.
A wide set of libraries and programs is already available to simulate
neutron and X-ray beams, propagate them through the beamlines,
interact with the sample and get data acquired by detectors.
The aim of _libpyvinyl_ is to provide a high level neutron and X-ray simulation API.
With this harmonized user interface we achieve seamless
interoperability of individual simulations thereby facilitating the
concatenation of simulation steps into a simulation pipeline.
The vast differences with respect to parameter
names, unit conventions, configuration syntax, i.e. the user
interface, is, hence, overcome creating a `libpyvinyl` compliant API
for each simulation software.
## Software specific APIs based on libpyvinyl
The python package `libpyvinyl` provides a way to harmonize the user interfaces of such simulation codes. It is an object oriented library; its classes define the user interface to simulation codes, simulation parameters and simulation data.
For a given simulation code, e.g. propagation of neutron or photon
beams through a beamline, a new class would have to be defined that
derives from the `libpyvinyl` classes.
This derived class requires the implementation of certain methods
meant to configure a simulation, launch the simulation code, and
retrieve the output data.
Since the interplay between parametrization, execution, and IO is
already taken care of at the level of `libpyvinyl`'s base classes, the
effort to define a specialized interface (parameters, backengine and
data object) for a new simulation code is rather minimal. This structure
allows integrating simulation codes into simulation pipelines in the
above sense.
## What the libpyvinyl API offers
This API offers a homogeneous interface to:
- Configure a simulation.
- Launch the simulation run.
- Collect the simulation output data.
- Construct a `Data` instance that represents the simulation output data.
- Snapshoot a simulation by dumping the object to disk.
- Reload a simulation run from disk and continue the run with optionally modified parameters.
## Who should use this library
Three kind of users are the target of this package:
1. developers of packages based on libpyvinyl offering new calculators
for simulations
1. users wishing to run a simulation giving some inputs and retrieving
the results
1. research facility experts that what to implement detailed
simulation of existing instruments at their facility or willing to
design new ones
## libpyvinyl projects
There are currently two projects based on libpyvinyl:
- McStatsScript: [https://github.com/PaNOSC-ViNYL/McStasScript](https://github.com/PaNOSC-ViNYL/McStasScript)
- SimEx-Lite:[https://github.com/PaNOSC-ViNYL/SimEx-Lite](https://github.com/PaNOSC-ViNYL/SimEx-Lite)
## Documentation
Documentation can be generated as follows using sphinx:
```
cd doc/
pip install requirements.txt
make html
```
## Development guide
Please find the development guide [here](DEVEL.md).
## Acknowledgement
This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 823852.
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"author": "Carsten Fortmann-Grote, Mads Bertelsen, Juncheng E, Shervin Nourbakhsh",
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