V1.30 Only load instance features for the representative model of mul…

…ti-model structures
rcsb · Jan 16, 2025 · a7a9f19 · a7a9f19
1 parent 55fa1eb
commit a7a9f19
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Showing 8 changed files with 9 additions and 3 deletions.
diff --git a/HISTORY.txt b/HISTORY.txt
@@ -139,3 +139,5 @@
 27-Aug-2024 - V1.27 Update order of CARD resource cache loading
  9-Dec-2024 - V1.28 Update Azure pipelines to use latest macOS, Ubuntu, and python 3.10
  7-Jan-2025 - V1.29 Add support for loading validation data from mmCIF files
+16-Jan-2025 - V1.30 Only load instance features for the representative model of multi-model structures;
+                    Consolidate code for selecting the representative model
diff --git a/azure-template-publish-job.yml b/azure-template-publish-job.yml
@@ -15,7 +15,7 @@ jobs:
 - job: ${{ format('publish_{0}_{1}', parameters.tox, parameters.os) }}
   pool:
     ${{ if eq(parameters.os, 'macos') }}:
-      vmImage: 'macOS-latest'
+      vmImage: 'macOS-15'
     ${{ if eq(parameters.os, 'linux') }}:
       vmImage: 'ubuntu-latest'
   dependsOn:

diff --git a/azure-template-tox-job.yml b/azure-template-tox-job.yml
@@ -18,7 +18,7 @@ jobs:
     timeoutInMinutes: 0
     pool:
       ${{ if eq(parameters.os, 'macos') }}:
-        vmImage: "macOS-latest"
+        vmImage: "macOS-15"
       ${{ if eq(parameters.os, 'linux') }}:
         vmImage: "ubuntu-latest"
 

diff --git a/rcsb/utils/dictionary/DictMethodAssemblyHelper.py b/rcsb/utils/dictionary/DictMethodAssemblyHelper.py
@@ -12,6 +12,7 @@
 # 29-Jun-2022 dwp Use internal computed-model identifiers everywhere
 # 06-Jul-2022 dwp Only run addDepositedAssembly for computed model files which don't already contain pdbx_struct_assembly
 # 01-Feb-2024 bv  Update methods 'addAssemblyInfo' and '__getAssemblyComposition' to support deuterated water molecule count
+# 16-Jan-2025 dwp Use simplified method call for getting representative model ID
 #
 ##
 """

diff --git a/rcsb/utils/dictionary/DictMethodCommonUtils.py b/rcsb/utils/dictionary/DictMethodCommonUtils.py
@@ -31,6 +31,7 @@
 #                 base calculation on coordinates only
 #  7-Jan-2025  bv Update '__getInstanceModelOutliers' to handle validation data
 #                 Add getRepresentativeModelId and getMethodList
+# 16-Jan-2025 dwp Consolidate getRepresentativeModelId and associated methods/calls
 #
 ##
 """

diff --git a/rcsb/utils/dictionary/DictMethodEntityInstanceHelper.py b/rcsb/utils/dictionary/DictMethodEntityInstanceHelper.py
@@ -30,6 +30,7 @@
 #                  Add filterPseudoEmptyVrptRecords
 #                  Skip non-representative models in buildInstanceValidationFeatures and buildInstanceValidationScores
 #                  Fix coverage in buildInstanceValidationFeatureSummary
+#  16-Jan-2025 dwp Only load features for the representative model
 #
 ##
 """

diff --git a/rcsb/utils/dictionary/DictMethodEntryHelper.py b/rcsb/utils/dictionary/DictMethodEntryHelper.py
@@ -66,6 +66,7 @@
 # 26-Jan-2023 dwp Populate or update pdbx_database_status attributes for CSMs to make ready for RELease
 # 21-Feb-2023  bv Update '__filterExperimentalResolution' method to handle experimental resolutions properly (see RO-3559)
 # 01-Feb-2024  bv Update method 'addEntryInfo' to support deuterated water molecule count
+# 16-Jan-2025 dwp Use simplified method call for getting representative model ID
 #
 ##
 """

diff --git a/rcsb/utils/dictionary/__init__.py b/rcsb/utils/dictionary/__init__.py
@@ -2,4 +2,4 @@
 __author__ = "John Westbrook"
 __email__ = "[email protected]"
 __license__ = "Apache 2.0"
-__version__ = "1.29"
+__version__ = "1.30"