Command-line tools for working with Crystallographic Information Framework files and dictionaries written in Julia.
- Install Julia
- At the Julia prompt, type
using Pkg;Pkg.add("CrystalInfoFramework");Pkg.add("ArgParse");Pkg.add("Lerche");Pkg.add("DataFrames");Pkg.add("FilePaths"). Exit Julia. - Copy or clone this project to a suitable location on your system. The instructions below assume that you are executing from this location.
- A help message for each of the programs below can be obtained by running
julia <program_file>at your command prompt.
Verify a dictionary against layout and other style recommendations.
Execute by running julia linter.jl <dictionary file> <reference dictionary>. This will verify dictionary file
against the current style recommendations for dictionary layout. If reference dictionary is not supplied,
capitalisation is not checked. The reference dictionary is usually ddl.dic, available from the COMCIFS github
repository. For usage information, julia linter.jl --help.
Check that two dictionaries have identical contents. Before running you will need to edit compare.jl to
set the locations of the DDL2 and DDLm reference dictionaries on your local filesystem (constant definitions
at the top of the file).
Execute by running julia compare.jl --lang <lang> -w -c <dic1> <dic2>. If -w, ignore whitespace differences. If -c, ignore case
differences. lang is the language (ddl2 or ddlm) that the
dictionaries are written in. Note that only a subset of DDL2
attributes are currently checked.
Format a dictionary according to layout style guide.
Execute by running julia pretty_print.jl <before> <after> where
before is the input dictionary file and after is the name of the
pretty-printed file. Option -e will expand templated imports within
the dictionary. Default is to leave the import statement untouched.