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Add solutions category and resolve bug in combine_components #106

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Oct 1, 2024
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Add solutions category and resolve bug in combine_components #106

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15 changes: 15 additions & 0 deletions src/nomad_material_processing/solution/general.py
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Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,7 @@
from nomad.datamodel.data import (
ArchiveSection,
EntryData,
EntryDataCategory,
)
from nomad.datamodel.metainfo.annotations import (
ELNAnnotation,
Expand All @@ -21,6 +22,7 @@
SystemComponent,
)
from nomad.metainfo import (
Category,
Datetime,
MEnum,
Quantity,
Expand Down Expand Up @@ -52,6 +54,17 @@
)


class SolutionCategory(EntryDataCategory):
"""
Category for entry schemas related to solutions.
"""

m_def = Category(
label='Solutions',
categories=[EntryDataCategory],
)


class MolarConcentration(ArchiveSection):
"""
The molar concentration of a component in a solution.
Expand Down Expand Up @@ -298,6 +311,7 @@ class Solution(CompositeSystem, EntryData):

# TODO make the solvents, solutes, and elemental_composition subsection noneditable.
m_def = Section(
categories=[SolutionCategory],
description='A homogeneous liquid mixture composed of two or more substances.',
a_eln=ELNAnnotation(
properties=SectionProperties(
Expand Down Expand Up @@ -827,6 +841,7 @@ class SolutionPreparation(Process, EntryData):

# TODO populate the instruments section based on the steps.methodology.instrument
m_def = Section(
categories=[SolutionCategory],
description='Section for describing steps of solution preparation.',
a_eln=ELNAnnotation(
properties=SectionProperties(
Expand Down