mmcif

04-Dec-2022 V0.80.1 - Correct non-wheel build of legacy python 08-Apr-2023 V0.81 - When using C++ writer, a string with a tab in middle with no other whitespace must be quoted 5-Dec-2023 V0.82 - Add support for binary mmCIF (BCIF) reading and writing in IoAdapterPy 21-Dec-2023 V0.83 - Update wheel builds for Apple Silicon (arm64). 2-Jan-2024 V0.84 - Updates to error suppression flags for undefined attribute types in BCIF conversion (set default to on) 16-Jan-2024 V0.85.0 - Update BinaryCifReader to read in DataCategory data items into lists instead of tuples; Update BinaryCifWriter to set version tag to that of the active mmcif package installation, to enable compatibility with Mol* and other tools (which requires >= 0.3.0, in that format); Update package version format to major.minor.patch (!!! MUST USE THIS FORMAT MOVING FORWARD !!!) 17-Jan-2024 V0.85.1 - Set BinaryCIF version tag to specifically 0.3.0 to ensure compatibility with Mol* and other tools 23-Feb-2024 V0.86.0 - BinaryCIF writer properly tracks integer types to ensure proper types passed through encoders. Ensure compatibility with ciftools-java and Mol*. 6-Apr-2024 V0.87.0 - Correct internal data of PdbxContainers when rename operation is used 24-Apr-2024 V0.88.0 - Add copy method to PdbxContainers for copying entire categories; Update rename method to fail if new category name already exists (i.e., don't allow overwrite) 20-Jun-2024 V0.89.0 - When writing output cif, always quote strings that start global_ 25-Oct-2024 V0.90.0 - Use explicit item type map to determine field types and encodings for BCIF 7-Jan-2025 V0.91.0 - Add selectIndicesWhereOpConditions and selectValuesWhereOpConditions methods to DataCategory Update testDataCategory.py 7-May-2025 V0.92.0 - BinaryCIF ByteArray Encoder failed to use the provided array type in recorded output type. Warn deprecation of obsolete encoders 16-Oct-2025 V1.0.0 - Remove support for python 2.X, retain support for python 3.6 and newer. Switch to using pyproject.toml for metadata. Build wheels for python 3.8->3.14 24-Nov-2025 V1.1.0 - BinaryCIF encoder corrections: Masked interer encodings should default to 0 in array. Masks should be encoded as as uint_8. RunLength encoding should specify the incoming data type. 19-Mar-2026 V1.1.1 - Remove python 2 references and support for python 3.6/7 30-Sep-2026 V1.2.0 - BinaryCIF encoder improvements: add fixed-point encoding for float columns and automatic column type detection (no dictionary required by default; explicit dictionary typing is still supported). Mixed-type columns are encoded as strings.

1-Jan-2021 V0.60 - Advance pipeline to py39 add DDL category.NX_mapping_details 1-Jan-2021 V0.61 - Adjust method api for category.NX_mapping_details 30-Mar-2021 V0.62 - Adding support for pdbx_include_dictionary, pdbx_include_category, pdbx_include_item, pdbx_dictionary_component and pdbx_dictionary_component_history; allow URL locators in IoAdapterPy() 7-Apr-2021 V0.63 - Add support for conditional value and conditional link attributes and data 8-Apr-2021 V0.64 - Add --cleanup option to build_dict_cli, update documentation and dependencies. 8-Apr-2021 V0.65 - Make --cleanup work with nested include instructions 17-Apr-2021 V0.66 - Add support for reading remote text and gzipped files in IoPyAdapter() 17-Apr-2021 V0.67 - Update support for Py27 with IoPyAdapter() tests 10-May-2021 V0.68 - Extend time precision in IoAdapterBase() 16-May-2021 V0.69 - Add BinaryCifReader/BinaryCifWriter, add mkdocs support, overhaul setup.py 2-Jun-2021 V0.70 - Add removeDuplicateRows() method in DataCategoryBase() 21-Jul-2021 V0.71 - Update ccp-cif-file module with support for new DDL attributes. 21-Jul-2021 V0.72 - Improve error handling for remote cif reader in IoAdapterPy() 28-Sep-2021 V0.73 - Ignore decoding errors on read by default in IoAdapterPy.readFile() 5-Oct-2021 V0.74 - Add support for relative local paths with DictionaryInclude() 11-Oct-2021 V0.75 - Add the dictionary API instance as a keyword argument to any invoked method in DictMethodRunner() 06-Apr-2022 V0.76 - Add doubleQuotingFlag parameter in IoAdapterCore.writeFile() method 08-Aug-2022 V0.77 - Upgrade macOS version for Azure and tox tasks 04-Sep-2022 V0.78 - Ensure that data values starting with "stop_" are quoted. Pull in latest versions of modules. 05-Sep-2022 V0.79 - For IoAdapterPy readFile() method, support timeout parameter for remote URLs

29-Nov-2019 V0.50 - Improve error diagnostics for missing methods, adjust parameter values for block methods. 15-Feb-2020 V0.51 - Add support for category group hierarchies. 9-May-2020 V0.52 - Make reserved token quoting case insensitive (PR from E. Ezra Peisach) 18-May-2020 V0.53 - Add DataCategory method countValuesWhereOpConditions() and test cases. 18-May-2020 V0.54 - Add DataCategory another method getCombinationCountsWithConditions() and test cases. 5-Jun-2020 V0.55 - Add support for extended enumeration description and units 5-Jun-2020 V0.56 - Address Py27 compatibility issues 5-Jun-2020 V0.57 - Extend support for extended enumeration description and units for alt enumerations 23-Aug-2020 V0.58 - Adjustments for the latest pylint and installation of dependencies for documentation generator