Added metainfo python code.

aptfimparser/__init__.py

@@ -22,8 +22,6 @@ from datetime import datetime
 from nomadcore.simple_parser import SimpleMatcher
 from nomadcore.baseclasses import ParserInterface, AbstractBaseParser
 
-from nomad.parsing import LocalBackend
-
 
 class APTFIMParserInterface(ParserInterface):
     def get_metainfo_filename(self):

aptfimparser/metainfo/__init__.py

+import sys
+from nomad.metainfo import Environment
+from nomad.metainfo.legacy import LegacyMetainfoEnvironment
+import aptfimparser.metainfo.aptfim
+import nomad.datamodel.metainfo.general
+import nomad.datamodel.metainfo.general_experimental
+import nomad.datamodel.metainfo.general_experimental_method
+import nomad.datamodel.metainfo.general_experimental_sample
+import nomad.datamodel.metainfo.general_experimental_data
+
+m_env = LegacyMetainfoEnvironment()
+m_env.m_add_sub_section(Environment.packages, sys.modules['aptfimparser.metainfo.aptfim'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.general'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.general_experimental'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.general_experimental_method'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.general_experimental_sample'].m_package)  # type: ignore
+m_env.m_add_sub_section(Environment.packages, sys.modules['nomad.datamodel.metainfo.general_experimental_data'].m_package)  # type: ignore

aptfimparser/metainfo/aptfim.py

+import numpy as np            # pylint: disable=unused-import
+import typing                 # pylint: disable=unused-import
+from nomad.metainfo import (  # pylint: disable=unused-import
+    MSection, MCategory, Category, Package, Quantity, Section, SubSection, SectionProxy,
+    Reference
+)
+from nomad.metainfo.legacy import LegacyDefinition
+
+from nomad.datamodel.metainfo import general_experimental
+
+m_package = Package(
+    name='aptfim_nomadmetainfo_json',
+    description='None',
+    a_legacy=LegacyDefinition(name='aptfim.nomadmetainfo.json'))
+
+
+class section_experiment(general_experimental.section_experiment):
+
+    m_def = Section(validate=False, extends_base_section=True, a_legacy=LegacyDefinition(name='section_experiment'))
+
+    none_shape = Quantity(
+        type=int,
+        shape=[],
+        description='''
+        Shape of the None/Null object
+        ''',
+        a_legacy=LegacyDefinition(name='none_shape'))
+
+    experiment_tool_info = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Name of the equipment, instrument with which the experiment was performed e.g.
+        LEAP5000XS
+        ''',
+        a_legacy=LegacyDefinition(name='experiment_tool_info'))
+
+    experiment_operation_method = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Operation mode of the instrument (APT, FIM or combination)
+        ''',
+        a_legacy=LegacyDefinition(name='experiment_operation_method'))
+
+    experiment_imaging_method = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Pulsing method to enforce a controlled ion evaporation sequence
+        ''',
+        a_legacy=LegacyDefinition(name='experiment_imaging_method'))
+
+    specimen_description = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Sample description e.g. pure W wire samples trial 2
+        ''',
+        a_legacy=LegacyDefinition(name='specimen_description'))
+
+    number_of_elements = Quantity(
+        type=int,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Number of elements (disjoint element names) expected
+        ''',
+        a_legacy=LegacyDefinition(name='number_of_elements'))
+
+    specimen_chemistry = Quantity(
+        type=str,
+        shape=['number_of_elements'],
+        unit='dimensionless',
+        description='''
+        List of periodic table names expected contained in dataset
+        ''',
+        a_legacy=LegacyDefinition(name='specimen_chemistry'))
+
+    specimen_microstructure = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Qualitative type of specimen and microstructure analyzed (e.g. thin films, nano
+        objects, single crystal, polycrystal)
+        ''',
+        a_legacy=LegacyDefinition(name='specimen_microstructure'))
+
+    specimen_constitution = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Qualitative information how many phases in the specimen
+        ''',
+        a_legacy=LegacyDefinition(name='specimen_constitution'))
+
+    measured_number_ions_evaporated = Quantity(
+        type=np.dtype(np.int32),
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Number of ions successfully evaporated
+        ''',
+        a_legacy=LegacyDefinition(name='measured_number_ions_evaporated'))
+
+    measured_detector_hit_pos = Quantity(
+        type=str,
+        shape=[],
+        unit='millimeter ** 2',
+        description='''
+        Detector hit positions x and y
+        ''',
+        a_legacy=LegacyDefinition(name='measured_detector_hit_pos'))
+
+    measured_detector_hit_mult = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Detector hit multiplicity
+        ''',
+        a_legacy=LegacyDefinition(name='measured_detector_hit_mult'))
+
+    measured_detector_dead_pulses = Quantity(
+        type=str,
+        shape=[],
+        unit='dimensionless',
+        description='''
+        Detector number of dead pulses
+        ''',
+        a_legacy=LegacyDefinition(name='measured_detector_dead_pulses'))
+
+    measured_time_of_flight = Quantity(
+        type=str,
+        shape=[],
+        unit='nanosecond',
+        description='''
+        Raw ion time of flight
+        ''',
+        a_legacy=LegacyDefinition(name='measured_time_of_flight'))
+
+    measured_standing_voltage = Quantity(
+        type=str,
+        shape=[],
+        unit='volt',
+        description='''
+        Standing voltage
+        ''',
+        a_legacy=LegacyDefinition(name='measured_standing_voltage'))
+
+    measured_pulse_voltage = Quantity(
+        type=str,
+        shape=[],
+        unit='volt',
+        description='''
+        Pulse voltage
+        ''',
+        a_legacy=LegacyDefinition(name='measured_pulse_voltage'))
+
+
+m_package.__init_metainfo__()