diff --git a/nomad/metainfo/metainfo.py b/nomad/metainfo/metainfo.py
index 00da3a39be927b3e482b95310a9b7fe198685e43..9733fbb5edd8ce81988abc9b70f2e51c519615d6 100644
--- a/nomad/metainfo/metainfo.py
+++ b/nomad/metainfo/metainfo.py
@@ -401,7 +401,7 @@ class Reference(DataType):
class QuantityReference(Reference):
''' Datatype used for reference quantities that reference other quantities. '''
- def __init__(self, quantity_def: Union['Quantity']):
+ def __init__(self, quantity_def: 'Quantity'):
super().__init__(cast(Section, quantity_def.m_parent))
self.target_quantity_def = quantity_def
@@ -2063,6 +2063,10 @@ class Definition(MSection):
sections, which organize the data (e.g. quantity values) and not the definitions
of data (e.g. quantities definitions). See :ref:`metainfo-categories` for more
details.
+
+ more: A dictionary that contains additional definition properties that are not
+ part of the metainfo. Those can be passed as additional kwargs to definition
+ constructors. The values must be JSON serializable.
'''
name: 'Quantity' = _placeholder_quantity
@@ -2071,6 +2075,27 @@ class Definition(MSection):
categories: 'Quantity' = _placeholder_quantity
deprecated: 'Quantity' = _placeholder_quantity
aliases: 'Quantity' = _placeholder_quantity
+ more: 'Quantity' = _placeholder_quantity
+
+ def __init__(self, *args, **kwargs):
+ if is_bootstrapping:
+ super().__init__(*args, **kwargs)
+ return
+
+ # We add all kwargs that are not meta props, annotations, or metainfo properties
+ # to the more property.
+ more = {}
+ new_kwargs = {}
+ for key, value in kwargs.items():
+ if key.startswith('m_') or key.startswith('a_') or key in m_package.all_properties:
+ new_kwargs[key] = value
+ else:
+ more[key] = value
+
+ if len(more) > 0:
+ new_kwargs['more'] = more
+
+ super().__init__(*args, **new_kwargs)
def __init_metainfo__(self):
'''
@@ -2093,6 +2118,12 @@ class Definition(MSection):
for content in self.m_all_contents(depth_first=True):
content.__init_metainfo__()
+ def __getattr__(self, name):
+ if name in self.more:
+ return self.more[name]
+
+ raise super().__getattr__(name)
+
def qualified_name(self):
names = []
current = self
@@ -2768,12 +2799,17 @@ class Package(Definition):
all_definitions: A helper attribute that provides all section definitions
by name.
+
+ all_properties: A helper attribute that provides all properties in all sections
+ of this package by name. The values are lists of properties as property names
+ do not necesseraly need to be unique for different containing sections.
'''
section_definitions: 'SubSection' = None
category_definitions: 'SubSection' = None
all_definitions: 'Quantity' = _placeholder_quantity
+ all_properties: 'Quantity' = _placeholder_quantity
dependencies: 'Quantity' = _placeholder_quantity
registry: Dict[str, 'Package'] = {}
@@ -2893,6 +2929,7 @@ Definition.categories = Quantity(
type=Reference(Category.m_def), shape=['0..*'], default=[], name='categories')
Definition.deprecated = Quantity(type=str, name='deprecated')
Definition.aliases = Quantity(type=str, shape=['0..*'], default=[], name='aliases')
+Definition.more = Quantity(type=JSON, name='more', default={})
Section.quantities = SubSection(
sub_section=Quantity.m_def, name='quantities', repeats=True)
@@ -3023,6 +3060,17 @@ def all_definitions(self):
return all_definitions
+@derived(cached=True)
+def package_all_properties(self):
+ all_properties: Dict[str, List[Property]] = dict()
+ for section_def in self.section_definitions:
+ for sub_section_def in [Section.quantities, Section.sub_sections]:
+ for property in section_def.m_get_sub_sections(sub_section_def):
+ properties = all_properties.setdefault(property.name, [])
+ properties.append(property)
+ return all_properties
+
+
@derived(cached=True)
def dependencies(self):
'''
@@ -3060,6 +3108,7 @@ def dependencies(self):
Package.all_definitions = all_definitions
+Package.all_properties = package_all_properties
Package.dependencies = dependencies
is_bootstrapping = False
@@ -3107,7 +3156,7 @@ class Environment(MSection):
return [
definition
- for definition in self.all_definitions_by_name.get(name, [])
+ for definition in self.all_definitions_by_name.get(name, []) # pylint: disable=no-member
if isinstance(definition, section_cls)
if not (isinstance(definition, Section) and definition.extends_base_section)
if filter is None or filter(definition)]
diff --git a/tests/metainfo/test_metainfo.py b/tests/metainfo/test_metainfo.py
index 9f5430d62e025f2db30becea6af30a053a5477cf..98b0e71238973600f2f21977fef7944dd406e1db 100644
--- a/tests/metainfo/test_metainfo.py
+++ b/tests/metainfo/test_metainfo.py
@@ -313,6 +313,28 @@ class TestM2:
assert len(TestSection.list_test_quantity.m_get_annotations(TestDefinitionAnnotation)) == 2
assert TestSection.test_sub_section.a_test is not None
+ def test_more_property(self):
+ class TestSection(MSection):
+ m_def = Section(this_does_not_exist_in_metainfo='value')
+ test_quantity = Quantity(type=str, also_no_metainfo_quantity=1, one_more=False)
+ another_test_quantity = Quantity(type=str)
+
+ assert TestSection.m_def.more['this_does_not_exist_in_metainfo'] == 'value'
+ assert TestSection.test_quantity.more['also_no_metainfo_quantity'] == 1
+ assert not TestSection.test_quantity.more['one_more']
+ assert len(TestSection.another_test_quantity.more) == 0
+
+ assert TestSection.m_def.this_does_not_exist_in_metainfo == 'value'
+ assert TestSection.test_quantity.also_no_metainfo_quantity == 1
+ assert not TestSection.test_quantity.one_more
+ with pytest.raises(AttributeError):
+ assert TestSection.not_even_in_more is None
+
+ serialized = TestSection.m_def.m_to_dict()
+ assert 'more' in serialized
+ assert 'this_does_not_exist_in_metainfo' in serialized['more']
+ assert 'this_does_not_exist_in_metainfo' not in serialized
+
class TestM1:
''' Test for meta-info instances. '''
@@ -509,7 +531,7 @@ class TestM1:
def derived(self):
return self.value + self.list[0]
- assert TestSection.derived.cached
+ assert TestSection.derived.cached # pylint: disable=no-member
test_section = TestSection(value='test', list=['1'])
assert test_section.derived == 'test1'
test_section.value = '2'