Make validation work with dictionary version 1.4.5 (info on PDBx dic split up...

Make validation work with dictionary version 1.4.5 (info on PDBx dic split up into its single components)

validation/Dockerfile

@@ -80,7 +80,7 @@ COPY --chmod=755 validate-mmcif-file.py /usr/local/bin/validate-mmcif-file
 ## https://github.com/ihmwg/ModelCIF/blob/master/dist/mmcif_ma.dic.
 ## Dictionaries do not change that frequently therefore we skip the hassle of
 ## keeping them in an external volume.
-ARG USE_DICT_VERSION="1.4.4"
+ARG USE_DICT_VERSION="1.4.5"
 ENV USE_DICT_VERSION=${USE_DICT_VERSION}
 LABEL org.modelarchive.dict_release="${USE_DICT_VERSION}"
 WORKDIR ${SRC_DIR}
@@ -118,9 +118,7 @@ RUN set -e pipefail; \
               -dictSdbFile ${MMCIF_DICTS_DIR}/mmcif_pdbx_v50.dic.sdb; \
     #
     ## Get versions of ModelCIF & PDBx/mmCIF dictionaries
-    get-mmcif-dict-versions --parent-location ${_GIT_URL}/base/mmcif_pdbx_v50.dic \
-                            --child-location ${_MA_DICT_URL} \
-                            mmcif_ma.dic; \
+    get-mmcif-dict-versions --child-location ${_MA_DICT_URL} mmcif_ma.dic; \
     mv mmcif_ma_version.json ${MMCIF_DICTS_DIR}/; \
     #
     ## Make SDBs readable and keep possible error logs from building them

validation/get-mmcif-dict-versions.py

@@ -25,15 +25,6 @@ def _parse_command_line():
         metavar="<DICTIONARY FILE>",
         help="The mmCIF dictionary file to read the versions from.",
     )
-    parser.add_argument(
-        "--parent",
-        "-p",
-        type=str,
-        metavar="<NAME OF PARENT DICT>",
-        help="Name of to the 'parent' dictionary. This is the one the other "
-        + "dictionary is appended to. This is usually the mmcif_pdbx_v50.dic.",
-        default="mmcif_pdbx_v50.dic",
-    )
     parser.add_argument(
         "--output",
         "-o",
@@ -42,14 +33,6 @@ def _parse_command_line():
         help="Path to store the JSON file with the version at.",
         default="mmcif_ma_version.json",
     )
-    parser.add_argument(
-        "--parent-location",
-        "-u",
-        type=str,
-        metavar="<URL OF PARENT DICT FILE>",
-        help="Download location of the parent dictionary file.",
-        default=None,
-    )
     parser.add_argument(
         "--child-location",
         "-l",
@@ -90,7 +73,7 @@ def _get_data_item(itm, cat, file_name, cat_data):
     return val[0]
 
 
-def _get_versions(dic_file, parent_name, io_adapter):
+def _get_versions(dic_file, io_adapter):
     """Fetch the 'category_group_list' object and assemble a version for the
     dictionary."""
 
@@ -112,24 +95,11 @@ def _get_versions(dic_file, parent_name, io_adapter):
     ttl = _get_data_item("title", "dictionary", dic_file, dic)
     dic_version = {"title": ttl, "version": vrsn}
 
-    cmp = _get_data_cat("pdbx_dictionary_component", dic_file, cntnr)
-    dc_idx = cmp.getAttributeIndex("dictionary_component_id")
-    vs_idx = cmp.getAttributeIndex("version")
-    for row in cmp:
-        if row[dc_idx] == parent_name:
-            vrsn = row[vs_idx]
-            prnt_version = {"title": parent_name, "version": vrsn}
-            break
-
-    return dic_version, prnt_version
+    return dic_version
 
 
-def _add_dict_location(parent, child, parent_loc, child_loc):
+def _add_dict_location(child, child_loc):
     """Add URLs to the dictionary versions if available."""
-    if parent_loc is None:
-        parent["location"] = "."
-    else:
-        parent["location"] = parent_loc
     if child_loc is None:
         child["location"] = "."
     else:
@@ -141,13 +111,11 @@ def _main():
     opts = _parse_command_line()
 
     io_adapter = IoAdapterPy(False, sys.stdout)
-    c_vrsn, p_vrsn = _get_versions(opts.dic_file, opts.parent, io_adapter)
+    c_vrsn = _get_versions(opts.dic_file, io_adapter)
 
-    _add_dict_location(
-        p_vrsn, c_vrsn, opts.parent_location, opts.child_location
-    )
+    _add_dict_location(c_vrsn, opts.child_location)
     with open(opts.output, "w", encoding="utf8") as jfh:
-        json.dump({"versions": [p_vrsn, c_vrsn]}, jfh)
+        json.dump({"versions": [c_vrsn]}, jfh)
 
 
 if __name__ == "__main__":