Dev micha

HZB_Unold_Lab_plugin/pyproject.toml

@@ -0,0 +1,32 @@
+[build-system]
+requires = [ "setuptools>=61.0.0",]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "hzb-unold-lab"
+version = "0.0.2"
+description = "A plugin for NOMAD"
+readme = "README.md"
+requires-python = ">=3.9"
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3 :: Only",
+    "Programming Language :: Python :: 3.9",
+    "License :: OSI Approved :: Apache Software License",
+]
+dependencies = [
+    "nomad-lab>=1.2.1",
+    "nomad-material-processing>=0.0.7",
+    "nomad-hzb-baseclasses>=0.0.1",
+]
+[project.optional-dependencies]
+dev = [
+    "pytest",
+    "structlog>=22.3.0",
+]
+
+[project.license]
+file = "LICENSE"
+
+[tool.setuptools.packages.find]
+where = [ "src",]

PVD/thermal_evaporation/hzb_unold_lab_pvdp/hzb_unold_lab_plugin/src/hzb_unold_lab/__init__.py → HZB_Unold_Lab_plugin/src/hzb_unold_lab/__init__.py

@@ -1,2 +1,2 @@
 from .schema import *
-from .parser import *
+from .parser import *

PVD/thermal_evaporation/hzb_unold_lab_pvdp/hzb_unold_lab_plugin/src/hzb_unold_lab/nomad_plugin.yaml → HZB_Unold_Lab_plugin/src/hzb_unold_lab/nomad_plugin.yaml

@@ -1,6 +1,8 @@
 description: This is a plugin schema generated from a yaml schema.
 name: parsers/hzb_unold_lab
 plugin_type: parser
-mainfile_name_re: ^.*hzb-unold-lab_pvdp.*\.(t|c)sv$
+mainfile_name_re: ^.*(spx.(xlsx|csv)|cond.csv|(reflection|transmission)_spec.csv|pvdp.*\.(t|c)sv)$
+mainfile_mime_re: '(application|text)/.*'
 parser_class_name: hzb_unold_lab.PVDPParser
 code_name: HZB Unold Lab Parser
+

HZB_Unold_Lab_plugin/src/hzb_unold_lab/parser.py

@@ -0,0 +1,98 @@
+#
+# Copyright The NOMAD Authors.
+#
+# This file is part of NOMAD. See https://nomad-lab.eu for further info.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+#
+
+import datetime
+
+
+from nomad.datamodel import EntryArchive
+from nomad.metainfo import (
+    Quantity,
+)
+from nomad.parsing import MatchingParser
+from nomad.datamodel.metainfo.annotations import (
+    ELNAnnotation,
+)
+from nomad.datamodel.data import (
+    EntryData,
+)
+
+from nomad.datamodel.metainfo.basesections import (
+    Activity,
+)
+
+
+from nomad_material_processing.utils import create_archive
+from baseclasses.helper.utilities import set_sample_reference
+from hzb_unold_lab.schema import (
+    UnoldThermalEvaporation,
+    Unold_XRF_Measurement_Library,
+    Unold_UVvis_Reflection_Measurement_Library,
+    Unold_UVvis_Transmission_Measurement_Library,
+    Unold_PL_Measurement_Library,
+    Unold_Conductivity_Measurement_Library,
+)
+
+
+class ParsedFile(EntryData):
+    activity = Quantity(
+        type=Activity,
+        a_eln=ELNAnnotation(
+            component="ReferenceEditQuantity",
+        ),
+    )
+
+
+class PVDPParser(MatchingParser):
+    def __init__(self):
+        super().__init__(
+            name="parsers/hzb_unold_lab",
+            code_name="HZB Unold Lab Parser",
+            code_homepage="https://github.com/FAIRmat-NFDI/AreaA-data_modeling_and_schemas",
+            supported_compressions=["gz", "bz2", "xz"],
+        )
+
+    def parse(self, mainfile: str, archive: EntryArchive, logger) -> None:
+        entry = None
+        file = mainfile.split("/")[-1]
+
+        if "pvdp" in file:
+            entry = UnoldThermalEvaporation(log_file=file)
+
+        if file.endswith("reflection_spec.csv"):
+            entry = Unold_UVvis_Reflection_Measurement_Library(data_file=file)
+
+        if file.endswith("transmission_spec.csv"):
+            entry = Unold_UVvis_Transmission_Measurement_Library(data_file=file)
+
+        if file.endswith("cond.csv"):
+            entry = Unold_Conductivity_Measurement_Library(data_file=file)
+
+        if file.endswith("spx.xlsx") or file.endswith("spx.csv"):
+            entry = Unold_XRF_Measurement_Library(composition_file=file)
+        if entry is None:
+            return
+
+        search_id = file.split("#")[0]
+        set_sample_reference(archive, entry, search_id)
+
+        entry.datetime = datetime.datetime.now().strftime("%Y-%m-%d %H:%M:%S.%f")
+        entry.name = f"{search_id}"
+
+        file_name = f"{file}.archive.json"
+        archive.data = ParsedFile(activity=create_archive(entry, archive, file_name))
+        archive.metadata.entry_name = file