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FAIRmat-NFDI · Sep 11, 2024 · d500ac4 · d500ac4
1 parent 2f7d42a
commit d500ac4
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Showing 4 changed files with 12 additions and 11 deletions.
diff --git a/src/nomad_parser_vasp/parsers/__init__.py b/src/nomad_parser_vasp/parsers/__init__.py
@@ -1,14 +1,16 @@
-from nomad.config.models.plugins import ParserEntryPoint
+from nomad.config.models.plugins import EntryPoint
 from pydantic import Field
 
 
-class VasprunXMLEntryPoint(ParserEntryPoint):
+class VasprunXMLEntryPoint(EntryPoint):
     parameter: int = Field(0, description='Custom configuration parameter')
 
     def load(self):
         from nomad_parser_vasp.parsers.xml_parser import VasprunXMLParser
 
-        return VasprunXMLParser('nomad_parser_vasp/parser/xml_parser.py/VasprunXMLParser', **self.dict())
+        return VasprunXMLParser(
+            'nomad_parser_vasp/parser/xml_parser.py/VasprunXMLParser', **self.dict()
+        )
 
 
 xml_entry_point = VasprunXMLEntryPoint(

diff --git a/src/nomad_parser_vasp/parsers/myparser.py b/src/nomad_parser_vasp/parsers/myparser.py
@@ -14,9 +14,7 @@
 from nomad.datamodel.results import Material, Results
 from nomad.parsing.parser import MatchingParser
 
-configuration = config.get_plugin_entry_point(
-    'nomad_parser_vasp.parsers:myparser'
-)
+configuration = config.get_plugin_entry_point('nomad_parser_vasp.parsers:myparser')
 
 
 class MyParser(MatchingParser):

diff --git a/src/nomad_parser_vasp/schema_packages/__init__.py b/src/nomad_parser_vasp/schema_packages/__init__.py
@@ -7,7 +7,7 @@ class MySchemaPackageEntryPoint(SchemaPackageEntryPoint):
 
     def load(self):
         from nomad_parser_vasp.schema_packages.mypackage import m_package
- 
+
         return m_package
 
 

diff --git a/src/nomad_parser_vasp/schema_packages/vasp_package.py b/src/nomad_parser_vasp/schema_packages/vasp_package.py
@@ -38,9 +38,7 @@
     path='.calculation'
 )
 
-ModelSystem.cell.m_annotations['xml'] = MappingAnnotationModel(
-    path='.structure'
-)
+ModelSystem.cell.m_annotations['xml'] = MappingAnnotationModel(path='.structure')
 
 Simulation.outputs.m_annotations['xml'] = MappingAnnotationModel(path='.calculation')
 
@@ -70,7 +68,10 @@
     xml=MappingAnnotationModel(
         operator=(
             'mix_alpha',
-            [dft_path + '.i[?"@name"=="HFALPHA"]', dft_path + '.i[?"@name"=="LHFCALC"]'],
+            [
+                dft_path + '.i[?"@name"=="HFALPHA"]',
+                dft_path + '.i[?"@name"=="LHFCALC"]',
+            ],
         )
     )  # TODO convert vasp bool
 )
Original file line number	Diff line number	Diff line change
Expand Up		@@ -7,7 +7,7 @@ class MySchemaPackageEntryPoint(SchemaPackageEntryPoint):

		def load(self):
		from nomad_parser_vasp.schema_packages.mypackage import m_package


		return m_package


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