CIF_dREL: A dREL to Julia translator

Introduction

dREL (J. Chem. Inf. Model., 2012, 52 (8), pp 1917–1925 DOI: 10.1021/ci300076w) is a machine-readable language for describing the relationships between data names defined in a CIF (Crystallographic Information Framework) dictionary. Examples of dREL use can be found in the latest CIF core dictionary.

This package is experimental. Method and type names are subject to change. It is likely to run a lot faster in the future as optimisations are implemented. Suggestions on speed improvement and new functionality are welcome.

Installation

Install Julia. At the Pkg prompt (ie after entering ]) type add CIF_dREL. Simply put using CIF_dREL at the top of any Julia code that uses methods from this package.

Note that CIF dictionary support is provided by the CrystalInfoFramework package, which will be installed together with CIF_dREL.

Please advise of any difficulties in installation so that either these instructions or the installation setup can be improved.

Note

The deps directory contains a short script to pre-build the dREL grammar. When changing the grammar this should be re-run. There is no harm in executing this script after installation: julia build.jl