From 5383c559c55adb22d78756314e016ea1d4ba19db Mon Sep 17 00:00:00 2001 From: vaitkus Date: Thu, 18 Jun 2026 10:35:56 +0300 Subject: [PATCH 1/4] Update multiblock coreCIF repository name --- .github/workflows/main.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index b602c5d..42e327d 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -72,8 +72,8 @@ jobs: - name: Check out the multiblock coreCIF dictionary uses: actions/checkout@v6 with: - repository: COMCIFS/cif_multiblock - path: cif-dictionaries/cif_multiblock + repository: COMCIFS/cif_core_multiblock + path: cif-dictionaries/cif_core_multiblock - name: Run dictionary validity checks uses: COMCIFS/dictionary_check_action@main From 4bc2aed3099d836b9490e37597235da86816403b Mon Sep 17 00:00:00 2001 From: vaitkus Date: Thu, 18 Jun 2026 10:39:53 +0300 Subject: [PATCH 2/4] Update README --- README.md | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index 8c7584a..9542ded 100644 --- a/README.md +++ b/README.md @@ -19,7 +19,7 @@ when reading and writing data names (the data names themselves are identical). The following caveats to this ideal situation currently apply: 1. The DDLm imgCIF dictionary inherits `DIFFRN`-linked -categories from the [multi-block dictionary](https://github.com/COMCIFS/cif_multiblock) +categories from the [multiblock coreCIF dictionary](https://github.com/COMCIFS/cif_core_multiblock) rather than [PDBx/mmCIF](https://mmcif.wwpdb.org). That is, unlike mmCIF, `DIFFRN_DETECTOR`, `DIFFRN_RADIATION` and `DIFFRN_MEASUREMENT` do *not* include a data name linked to `_diffrn.id` as a key data name. An issue @@ -49,13 +49,13 @@ The DDLm version was automatically obtained from the DDL2 version by running the commands: ``` -julia ddl_to_ddl.jl -c multi_block_core.dic -i --short --strict -t CIF_IMG -o cif_img.dic cbf_imgcif_dictionary/ddl2/cif_img.dic ddl2 +julia ddl_to_ddl.jl -c cif_core_multiblock.dic -i --short --strict -t CIF_IMG -o cif_img.dic cbf_imgcif_dictionary/ddl2/cif_img.dic ddl2 ``` using the `ddl_to_ddl.jl` and `remove_category.jl` tools and associated DDL translation dictionaries from the `https://github.com/jamesrhester/ddl_to_ddl` -repository and the `multi_block_core.dic` found in the [COMCIFS Multi-Block -dictionary repository](https://github.com/COMCIFS/cif_multiblock). A [COMCIFS +repository and the `cif_core_multiblock.dic` found in the [COMCIFS Multiblock coreCIF +dictionary repository](https://github.com/COMCIFS/cif_core_multiblock). A [COMCIFS fork of the DDL2 imgCIF dictionary](https://github.com/COMCIFS/cbf_imgcif_dictionary) was used as the DDL2 dictionary source. Currently this fork contains some corrections for @@ -70,12 +70,12 @@ translated DDLm dictionary to preserve information not captured by DDLm attributes. For details see the `ddl_to_ddl` tool. The additional attributes are later dropped (see below). -2. Any common categories defined to be of class `Set` in `multi_block_core.dic` are +2. Any common categories defined to be of class `Set` in `cif_core_multiblock.dic` are restated to be `Set` categories in the translated dictionary 3. The dictionary title is changed to `cif_img` to conform to DDLm style. -4. (`--short`): The import of `multi_block_core.dic` in the emitted DDLm +4. (`--short`): The import of `cif_core_multiblock.dic` in the emitted DDLm dictionary will not specify a directory for simplicity in testing. This implies that all dictionaries are in the same directory. From 10b5cfb074974eabec8564062b964b7264241236 Mon Sep 17 00:00:00 2001 From: vaitkus Date: Thu, 18 Jun 2026 10:45:53 +0300 Subject: [PATCH 3/4] Update import statement of multiblock coreCIF --- cif_img.dic | 10 +++++----- expanded/cif_img_expanded.dic | 8 ++++---- 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/cif_img.dic b/cif_img.dic index a59de6a..969ed1d 100644 --- a/cif_img.dic +++ b/cif_img.dic @@ -5,7 +5,7 @@ data_CIF_IMG _dictionary.title CIF_IMG _dictionary.class Instance _dictionary.version 1.8.9 - _dictionary.date 2026-05-14 + _dictionary.date 2026-06-18 _dictionary.uri https://github.com/COMCIFS/imgCIF/cif_img.dic _dictionary.ddl_conformance 4.2.0 _dictionary.namespace CifCore @@ -699,7 +699,7 @@ save_CIF_IMG_HEAD _definition.id CIF_IMG_HEAD _definition.scope Category _definition.class Head - _definition.update 2026-05-14 + _definition.update 2026-06-18 _description.text ; The HEAD category is the parent category of all definitions in the @@ -709,8 +709,8 @@ save_CIF_IMG_HEAD _name.object_id CIF_IMG_HEAD _import.get - [{'dupl':Ignore 'file':multi_block_core.dic 'mode':Full - 'save':multiblock_core}] + [{'dupl':Ignore 'file':cif_core_multiblock.dic 'mode':Full + 'save':CIF_CORE_MULTIBLOCK_HEAD}] save_ @@ -11432,7 +11432,7 @@ save_ ; Pick up minor type corrections from 1.8.9 dcitionary ; - 1.8.9 2026-05-14 + 1.8.9 2026-06-18 ; Addition of missing diffrn.id pointers diff --git a/expanded/cif_img_expanded.dic b/expanded/cif_img_expanded.dic index 7f58aae..30c19ae 100644 --- a/expanded/cif_img_expanded.dic +++ b/expanded/cif_img_expanded.dic @@ -5,7 +5,7 @@ data_CIF_IMG.DIC _dictionary.title cif_img.dic _dictionary.class Instance _dictionary.version 1.8.9 - _dictionary.date 2026-05-14 + _dictionary.date 2026-06-18 _dictionary.ddl_conformance 4.2.0 _dictionary.namespace CifCore _description.text @@ -774,8 +774,8 @@ save_HEAD _name.object_id HEAD _import.get - [{'dupl':Ignore 'file':multi_block_core.dic 'mode':Full - 'save':multiblock_core}] + [{'dupl':Ignore 'file':cif_core_multiblock.dic 'mode':Full + 'save':CIF_CORE_MULTIBLOCK_HEAD}] save_ @@ -14103,7 +14103,7 @@ save_ _dictionary_audit.version _dictionary_audit.date _dictionary_audit.revision - 1.8.9 2026-05-14 + 1.8.9 2026-06-18 ; Addition of missing diffrn.id pointers From e358d6d5ea0fc4a52743dda463bf4af3b5775115 Mon Sep 17 00:00:00 2001 From: vaitkus Date: Thu, 18 Jun 2026 10:59:32 +0300 Subject: [PATCH 4/4] Update dictionary date --- cif_img_variant.dic | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cif_img_variant.dic b/cif_img_variant.dic index b14cd28..e4d5659 100644 --- a/cif_img_variant.dic +++ b/cif_img_variant.dic @@ -11,7 +11,7 @@ data_VARIANT_DIC _dictionary.title VARIANT_DIC _dictionary.class Instance _dictionary.version 1.0.0 - _dictionary.date 2026-05-14 + _dictionary.date 2026-06-18 _dictionary.ddl_conformance 4.2.0 _dictionary.namespace CifCore _description.text