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PyCifRW new version

  • Subject: PyCifRW new version
  • From: James Hester <jrh@xxxxxxxxxxxx>
  • Date: Mon, 25 Jul 2005 16:27:38 +0900
PyCifRW version 2.0 now available
---------------------------------

In addition to reading, manipulating and writing CIFs, as included in
previous versions, version 2.0 offers lots of validation goodness, where
"validation" means checking that data names, values and structures agree
with dictionary specifications.

*validation of DDL1-style data files using DDL1 data dictionaries
*validation of DDL1-style data files using DDL2 data dictionaries with
aliases
*validation of DDL2-style data files using DDL2 data dictionaries
*validation of DDL1 data dictionaries against a DDL1 spec dictionary
*validation of DDL2 data dictionaries against a DDL2 spec dictionary
*merging of several DDL1 or DDL2 dictionaries according to the COMCIFs
recommendations

A simple python program, 'validate_cif.py', is also bundled, which can
find and download dictionaries using the IUCr dictionary registry.

Caveats
=======
DDL1: _type_constructs in DDL1 spec dictionaries are not always
machine-readable, so type-checking of DDL1 data dictionaries sometimes
fails; no support for 'seq' type condition at all; I may have
misinterpreted some of the validation requirements in the spec.

DDL2: no checking of sub-categories or category groups for consistency.

Merging: no new loops are created when merging in 'overlay' mode, even
if the spec requires it.

Download location:
https://anbf2.kek.jp/zope/Downloads/CIF/PyCifRW-2.0.tar.gz

-- 
_______________________________________________________________________
James Hester, ANBF                             KEK
e-mail: jrh@anbf2.kek.jp                       Oho 1-1
Phone: +81 298 64 7959                         Tsukuba, Ibaraki 305
  Fax: +81 298 64 7967                         Japan
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