v0.8.0

CrystalInfoFramework v0.8.0

Diff since v0.7.0

This release has breaking changes, see below.

The package is in the process of being cleaned up for a 1.0 release. Any suggestions for changes to the API should be provided sooner rather than later.

Breaking change

• The DataContainer submodule has been removed, and will be released as a standalone package. Software that did not explicitly import this submodule will not be affected.

Other changes

• A CIF instance may be constructed from an IOStream, e.g. an already opened file.

Merged pull requests:

• Example of parsing a CIF file (#14) (@Kolaru)

Closed issues:

• Cif method that takes a file handle (#10)
• Warning about method overwrites (#12)

v0.7.0

CrystalInfoFramework v0.7.0

Diff since v0.6.3

• FilePaths has been removed. To open a CIF-formatted string, use new method cif_from_string(string). Legacy code using p"filename" or passing a FilePath.Path to the Cif constructor should still work.
• The DataContainer submodule has been rearchitected and is still in flux.
• Mac OS 14 users may have trouble. Please raise an issue if this is the case. MacOS 13 is fine.

Closed issues:

• Possible error with fix_url when path contains a space (#11)

v0.6.3

CrystalInfoFramework v0.6.3

Diff since v0.6.2

• Fixed bug when handling special characters in file paths during dictionary import

v0.6.2

CrystalInfoFramework v0.6.2

Diff since v0.6.1

• DDL2 dictionary output bugs fixed
• dREL method cache clearing bug fixed
• DDLm dictionary output includes DDL2 compability attributes

v0.6.1

CrystalInfoFramework v0.6.1

Diff since v0.6.0

• fixed missing data names when writing out dictionary if parent category was not present
• moved to modern precompilation

v0.6.0

CrystalInfoFramework v0.6.0

Diff since v0.5.3

v0.5.3

CrystalInfoFramework v0.5.3

Diff since v0.5.2

v0.5.2

CrystalInfoFramework v0.5.2

Diff since v0.5.1

• Output bug fix: value '.' is output as . instead of '.', likewise for '?'

v0.5.1

CrystalInfoFramework v0.5.1

Diff since v0.5.0

v0.5.0

CrystalInfoFramework v0.5.0

Diff since v0.4.8

• C parser from cif_api now automatically installed via cif_api_jll. This is faster for scripts that read a single CIF file
• Julia parser now default. This is faster when more than one CIF file is read e.g. in an interactive session. To get C parser provide native=false option to Cif constructor
• Improvements to CIF output formatting

Closed issues:

• Distribute libcif with Julia's artifacts system (#7)