diff --git a/wien2kparser/parser_wien2k.py b/wien2kparser/parser_wien2k.py index 16cc4a16040b2fe1c6fcd2fd7d9ded4bbab16eaa..d2c53f8fb0cdd9d4ee25b047602bda433f12abf3 100644 --- a/wien2kparser/parser_wien2k.py +++ b/wien2kparser/parser_wien2k.py @@ -281,12 +281,6 @@ parserInfo = { "name": "Wien2k", "version": "1.0" } -import nomad_meta_info -# metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(__file__)),"../../../../nomad-meta-info/meta_info/nomad_meta_info/wien2k.nomadmetainfo.json")) -# metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None) - -metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(nomad_meta_info.__file__)), "wien2k.nomadmetainfo.json")) -metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None) class Wien2kParser(): """ A proper class envolop for running this parser from within python. """ @@ -296,11 +290,11 @@ class Wien2kParser(): def parse(self, mainfile): from unittest.mock import patch _logging.getLogger('nomadcore').setLevel(_logging.WARNING) - backend = self.backend_factory(metaInfoEnv) + backend = self.backend_factory("wien2k.nomadmetainfo.json") with patch.object(sys, 'argv', ['<exe>', '--uri', 'nmd://uri', mainfile]): mainFunction( mainFileDescription, - metaInfoEnv, + None, parserInfo, cachingLevelForMetaName = cachingLevelForMetaName, superContext=Wien2kContext(), @@ -310,5 +304,9 @@ class Wien2kParser(): if __name__ == "__main__": + import metainfo + metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(metainfo.__file__)), "wien2k.nomadmetainfo.json")) + metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None) + superContext = Wien2kContext() mainFunction(mainFileDescription, metaInfoEnv, parserInfo, superContext = superContext)