Merge branch 'master' of https://github.com/jamesrhester/CrystalInfoF…

…ramework.jl

.github/workflows/julia-runtests.yml

@@ -1,12 +1,21 @@
 name: Run tests
 
-on: [push, pull_request]
-
+on: 
+  push:
+    paths-ignore:
+      - '.github/**'
+      - 'README.md'
+
+  pull_request:
+    paths-ignore:
+      - '.github/**'
+      - 'README.md'
+
+  workflow_dispatch:
+
 jobs:
   test:
     runs-on: ${{ matrix.os }}
-    env:
-            LD_LIBRARY_PATH: ${{ github.workspace }}/lib:/usr/lib:/lib:/lib64
     strategy:
       matrix:
         julia-version: ['1', 'nightly']

README.md

@@ -12,24 +12,18 @@ understand dictionaries written in DDLm and DDL2, which can be used to return co
 types and find aliased datanames (note that this includes the PDB
 mmCIF dictionaries).
 
-## Warning: early release
+## Warning: pre-1.0 release
 
-While usable for the bulk of typical tasks, this package is still in
-an early version. Type and method names may change in later versions.
-Various debugging messages are printed, documentation strings are patchy.
+Types, method names, and method signatures may change in later versions.
 
-On the other hand, if you see ways to improve the naming or architecture, 
+If you see ways to improve the naming or architecture, 
 now is the time to raise an issue.
 
 ## Installation
 
 Once Julia is installed, it is sufficient to `add CrystalInfoFramework`
 at the Pkg prompt (accessed by the `]` character in the REPL).
 
-Faster CIF parsing is available if you install the C library
-[cifapi](https://github.com/COMCIFS/cif_api) in a standard
-place on your system.
-
 ## Documentation
 
 Detailed documentation is becoming progressively available 
@@ -40,7 +34,7 @@ Detailed documentation is becoming progressively available
 Type ``Cif`` is like a ``Dict{String,Block}``. A
 ``Block`` works like a ``Dict{String,Array{Any,1}}``.  All returned
 values are Arrays, **even if the data name appears as a key-value
-pair in the file**. Primitive values are always Strings. 
+pair in the file**. Primitive values are always `String`s. 
 CIF2 Tables become julia ``Dict`` types, and CIF2 lists are julia 
 ``Array`` types.
 
@@ -53,7 +47,10 @@ returned as 1-element Arrays. **This may change in the future**
 name. File names should be provided as ``FilePaths`` paths. These can be
 produced from strings be prepending the letter ``p`` once ``FilePaths`` is
 added. If a ``String`` is provided to the ``Cif`` constructor it will be
-interpreted as the contents of a CIF file.
+interpreted as the contents of a CIF file. The optional argument `native`
+switches between the [C cif_api parser](https://github.com/COMCIFS/cif_api)
+(`native=false`, not currently available for
+Windows) and a native Julia parser (`native=true`, the default).
 
 To open a file, and read ``_cell.length_a`` from block ``only_block``, 
 returning a one-element ``Array{String,1}``:
@@ -138,12 +135,17 @@ correctly-formatted dictionaries or data files.
 
 ## Architecture
 
-If the C `cifapi` library is available its parsing callbacks are used
-to construct a `Cif` object during file traversal. In the absence of this
-library, a pre-built parser generated by ``Lerche`` using a CIF
-EBNF is used to produce a parse tree that is then transformed into a `Cif`
+The C cif_api library parsing callbacks are used
+to construct a `Cif` object during file traversal. The Julia parser uses 
+a pre-built parser generated by ``Lerche`` using a CIF
+EBNF to produce a parse tree that is then transformed into a `Cif`
 object.
 
 ## Further information
 
 Read the tests in the tests directory for typical usage examples.
+
+## Contributing
+
+Contributions, suggestions, and bug reports are welcome! Please use
+Github issues and pull requests to do this.