Combinatorial
CombinatorialLibrary¶
description: A base section for any continuous combinatorial library.
inherits from: nomad.datamodel.metainfo.basesections.v1.CompositeSystem, nomad.datamodel.data.EntryData, nomad.datamodel.metainfo.plot.PlotSection
normalization:
The normalizer for the ContinuousCombiLibrary section.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.
CombinatorialSamplePosition¶
description: A section for representing the position of a sample within a continuous combinatorial library. If nothing else is specified it is the position relative to the center of mass of the library.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| x | float |
unit=meter |
| y | float |
unit=meter |
| z | float |
unit=meter |
normalization:
The normalizer for the CombinatorialSamplePosition section.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.
CombinatorialLibraryReference¶
description: A section containing a reference to a continuous combinatorial library entry.
inherits from: nomad.datamodel.metainfo.basesections.v1.CompositeSystemReference
properties:
| name | type | |
|---|---|---|
| reference | CombinatorialLibrary |
The reference to the combinatorial library entry. |
normalization:
Will attempt to fill the reference from the lab_id or vice versa.
CombinatorialSample¶
description: A base section for any sample of a continuous combinatorial library.
inherits from: nomad.datamodel.metainfo.basesections.v1.CompositeSystem, nomad.datamodel.data.EntryData
properties:
| name | type | |
|---|---|---|
| sample_number | int |
A unique number for this sample of the combinatorial library. |
| lab_id | str |
A unique human readable ID for the sample within the combinatorial library. Suggested to be the ID of the library followed by a dash ("-") and the sample number. |
| library | CombinatorialLibraryReference |
The reference to the combinatorial library entry.sub-section |
| position | CombinatorialSamplePosition |
The position of a sample within the continuous combinatorial library. If nothing else is specified it is the position relative to the center of mass of the library.sub-section |
normalization:
The normalizer for the CombinatorialSample section.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.
DiscreteCombinatorialSample¶
description: A base section for any sample of a discrete combinatorial library.
inherits from: nomad.datamodel.metainfo.basesections.v1.CompositeSystem
normalization:
The normalizer for the CombinatorialSample section.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.
DiscreteCombinatorialSampleReference¶
description: A section containing a reference to a discrete combinatorial sample entry.
inherits from: nomad.datamodel.metainfo.basesections.v1.CompositeSystemReference
properties:
| name | type | |
|---|---|---|
| sample_number | int |
A unique number for this sample of the combinatorial library. |
| reference | DiscreteCombinatorialSample |
The reference to the combinatorial sample entry. |
normalization:
The normalizer for the CombinatorialSampleReference section.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.
DiscreteCombinatorialLibrary¶
description: A base section for a discrete combinatorial library.
inherits from: nomad.datamodel.metainfo.basesections.v1.Collection
properties:
| name | type | |
|---|---|---|
| lab_id | str |
A unique human readable ID for the combinatorial library. |
| entities | DiscreteCombinatorialSampleReference |
All the investigated samples of the combinatorial library.sub-section, repeats |
normalization:
The normalizer for the DiscreteCombinatorialLibrary section.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.