Fixed dos handling in aim parser. Allow to open subsections of closed parents.

nomad-meta-info @ 5bfbdf09

-Subproject commit 4157d084e43ec08ad2f4975a276e89fa51dcd535
+Subproject commit 5bfbdf09cbd0e9a2934467bdeca569296952ee06

fhi-aims @ d41ed9c3

-Subproject commit 0d5765ded1e24c5dd22be98c21d6c9284d06ec51
+Subproject commit d41ed9c3e636b1638e904b6459262a610c62dad2

python_common @ b3159851

-Subproject commit c161aa0f8649f8431cf3ad6e0afc509000460161
+Subproject commit b3159851a99a4ff6a5ee13dbe204cc0a72aff81e

nomad/parsing/backend.py

@@ -91,7 +91,7 @@ class AbstractParserBackend(metaclass=ABCMeta):
         pass
 
     @abstractmethod
-    def openSection(self, metaName):
+    def openSection(self, metaName, parent_index=-1):
         """ Opens a new section and returns its new unique gIndex. """
         pass
 
@@ -433,9 +433,9 @@ class LocalBackend(LegacyParserBackend, metaclass=DelegatingMeta):
         super().finishedParsingSession(*args, **kwargs)
         self._delegate.finishedParsingSession(*args, **kwargs)
 
-    def openSection(self, metaName: str) -> int:
+    def openSection(self, metaName: str, parent_index: int = -1) -> int:
         if self._open_context is None:
-            return self._delegate.openSection(metaName)
+            return self._delegate.openSection(metaName, parent_index=parent_index)
         else:
             assert self._context_section is not None
 

tests/test_parsing.py

@@ -185,6 +185,42 @@ class TestLocalBackend(object):
         assert len(runs[0]['section_method']) == 2
         assert len(runs[1]['section_method']) == 1
 
+    def test_open_section_of_specific_parent(self, backend: LocalBackend, no_warn):
+        run_index = backend.openSection('section_run')
+        scc_index = backend.openSection('section_single_configuration_calculation')
+        backend.closeSection('section_single_configuration_calculation', scc_index)
+        dos_index = backend.openSection('section_dos', parent_index=scc_index)
+        backend.closeSection('section_dos', dos_index)
+        backend.closeSection('section_run', run_index)
+
+        runs = backend.data['section_run']
+        assert len(runs) == 1
+        run = runs[0]
+        assert len(run['section_single_configuration_calculation']) == 1
+        assert 'section_dos' in run['section_single_configuration_calculation'][0]
+        assert len(run['section_single_configuration_calculation'][0]['section_dos']) == 1
+
+    def test_open_section_of_specific_parent2(self, backend: LocalBackend, no_warn):
+        run_index = backend.openSection('section_run')
+        scc_index = backend.openSection('section_single_configuration_calculation')
+        backend.closeSection('section_single_configuration_calculation', scc_index)
+
+        backend.closeSection(
+            'section_single_configuration_calculation',
+            backend.openSection('section_single_configuration_calculation'))
+
+        dos_index = backend.openSection('section_dos', parent_index=scc_index)
+        backend.closeSection('section_dos', dos_index)
+        backend.closeSection('section_run', run_index)
+
+        runs = backend.data['section_run']
+        assert len(runs) == 1
+        run = runs[0]
+        assert len(run['section_single_configuration_calculation']) == 2
+        assert 'section_dos' in run['section_single_configuration_calculation'][0]
+        assert len(run['section_single_configuration_calculation'][0]['section_dos']) == 1
+        assert 'section_dos' not in run['section_single_configuration_calculation'][1]
+
     def test_context(self, backend: LocalBackend, no_warn):
         backend.openSection('section_run')
         backend.openSection('section_method')