httk.core.entry_types

Generated data models for httk-core standard OPTIMADE entry types.

The record classes below are generated from the registered references, files, and calculations entry-type schemas.

Classes

Reference	The references entry type.
File	The files entry type.
Calculation	The calculations entry type.

Module Contents

class httk.core.entry_types.Reference

The references entry type.

The references entry type describes a reference

Schema properties:

Variables:

• immutable_id –

  The entry’s immutable ID (e.g., a UUID).

  Requirements/Conventions:

  • This is important for databases having preferred IDs that point to “the latest version” of a record, but still offer access to older variants.

  • This ID maps to the version-specific record, in case it changes in the future.

• last_modified – Date and time representing when the entry was last modified.

• address – Typically the location of the publisher or institution (the address field in the BibTeX specification).

• annote – Additional notes or comments on the reference (the annote field in the BibTeX specification).

• booktitle – The title of a book being cited; for parts of a book, use the title field instead (the booktitle field in the BibTeX specification).

• chapter – The chapter, section, or similar part number (the chapter field in the BibTeX specification).

• crossref – The database key of the entry being cross referenced (the crossref field in the BibTeX specification).

• edition – The edition of a book (the edition field in the BibTeX specification).

• howpublished – The method of publication (the howpublished field in the BibTeX specification)

• institution – The sponsoring institution of a technical report (the institution field in the BibTeX specification).

• journal – The name of a journal (the journal field in the BibTeX specification).

• key – Used for alphabetizing, cross-referencing, and creating a label (the key field in the BibTeX specification).

• month – The three-letter abbreviation of the month of publication or writing (the month field in the BibTeX specification).

• note – Additional information about the reference (the note field in the BibTeX specification).

• number – The number of a journal, magazine, technical report, or work in a series (the number field in the BibTeX specification).

• organization – The organization sponsoring a conference or publishing a manual (the organization field in the BibTeX specification)

• pages – The page number(s) of the reference (the pages field in the BibTeX specification).

• publisher – The name of the publisher (the publisher field in the BibTeX specification).

• school – The name of the school where a thesis was written (the school field in the BibTeX specification).

• series – The name of a series or set of books (the series field in the BibTeX specification).

• title – The title of the work (the title field in the BibTeX specification).

• volume – The volume number of a journal or multivolume book (the volume field in the BibTeX specification).

• year – The year of publication or writing.

• bib_type – Type of the reference (the type field in the BibTeX specification).

• authors –

  A list of dictionaries with names of the authors.

  Requirements/Conventions:

  • Each list member MUST be a dictionary with the following keys:

    • name: Full name of the person, REQUIRED.

    • firstname, lastname: Parts of the person’s name, OPTIONAL.

• editors –

  A list of dictionaries with names of the editors.

  Requirements/Conventions:

  • Each list member MUST be a dictionary with the following keys:

    • name: Full name of the person, REQUIRED.

    • firstname, lastname: Parts of the person’s name, OPTIONAL.

• doi – The doi identifier of the object being referenced.

• url – The URL of the object being referenced.

immutable_id: str | None = None

last_modified: datetime.datetime | None = None

address: str | None = None

annote: str | None = None

booktitle: str | None = None

chapter: str | None = None

crossref: str | None = None

edition: str | None = None

howpublished: str | None = None

institution: str | None = None

journal: str | None = None

key: str | None = None

month: str | None = None

note: str | None = None

number: str | None = None

organization: str | None = None

pages: str | None = None

publisher: str | None = None

school: str | None = None

series: str | None = None

title: str | None = None

volume: str | None = None

year: str | None = None

bib_type: str | None = None

authors: tuple[collections.abc.Mapping[str, Any], Ellipsis] | None = None

editors: tuple[collections.abc.Mapping[str, Any], Ellipsis] | None = None

doi: str | None = None

url: str | None = None

classmethod from_obj(obj)

class httk.core.entry_types.File

The files entry type.

The files entry type describes a file with metadata and a URL to retrieve it

Schema properties:

Variables:

• immutable_id –

  The entry’s immutable ID (e.g., a UUID).

  Requirements/Conventions:

  • This is important for databases having preferred IDs that point to “the latest version” of a record, but still offer access to older variants.

  • This ID maps to the version-specific record, in case it changes in the future.

• last_modified – Date and time representing when the entry was last modified.

• url –

  The URL to get the contents of a file.

  Requirements/Conventions:

  • The URL MUST point to the actual contents of a file (i.e. byte stream), not an intermediate (preview) representation. For example, if referring to a file on GitHub, a link should point to raw contents.

• url_stable_until –

  Point in time until which the URL in url is guaranteed to stay stable.

  Requirements/Conventions:

  • null means that there is no stability guarantee for the URL in url. Indefinite support could be communicated by providing a date sufficiently far in the future, for example, 9999-12-31.

• name –

  Base name of a file.

  Requirements/Conventions:

  • File name extension is an integral part of a file name and, if available, MUST be included.

• size –

  Size of a file in bytes.

  Requirements/Conventions:

  • If provided, it MUST be guaranteed that either exact size of a file is given or its upper bound. This way if a client reserves a static buffer or truncates the download stream after this many bytes the whole file would be received. Such provision is included to allow the providers to serve on-the-fly compressed files.

• media_type – Media type identifier (also known as MIME type), for a file as per [RFC 6838 Media Type Specifications and Registration Procedures](https://datatracker.ietf.org/doc/html/rfc6838).

• version –

  Version information of a file (e.g., commit, revision, timestamp).

  Requirements/Conventions:

  • If provided, it MUST be guaranteed that file contents pertaining to the same combination of id and version are the same.

• modification_timestamp –

  Timestamp of the last modification of file contents. A modification is understood as an addition, change or deletion of one or more bytes, resulting in file contents different from the previous.

  Requirements/Conventions:

  • Timestamps of subsequent file modifications SHOULD be increasing (not earlier than previous timestamps).

• description – Free-form description of a file.

• checksums –

  Dictionary providing checksums of file contents.

  Requirements/Conventions:

  • The keys in the dictionary identify checksum functions and the values are strings containing the corresponding checksum.

  • Supported dictionary keys: md5, sha1, sha224, sha256, sha384, sha512. Checksums outside this list MAY be used, but their names MUST be prefixed by database-provider-specific namespace prefix.

• atime – Time of last access of a file as per POSIX standard.

• ctime – Time of last status change of a file as per POSIX standard.

• mtime –

  Time of last modification of a file as per POSIX standard.

  Requirements/Conventions:

  • It should be noted that the values of last_modified, modification_timestamp and mtime do not necessary match. last_modified pertains to the modification of the OPTIMADE metadata, modification_timestamp pertains to file contents and mtime pertains to the modification of the file (not necessary changing its contents). For example, appending an empty string to a file would result in the change of mtime in some operating systems, but this would not be deemed as a modification of its contents.

url: str

name: str

immutable_id: str | None = None

last_modified: datetime.datetime | None = None

url_stable_until: datetime.datetime | None = None

size: int | None = None

media_type: str | None = None

version: str | None = None

modification_timestamp: datetime.datetime | None = None

description: str | None = None

checksums: collections.abc.Mapping[str, str] | None = None

atime: datetime.datetime | None = None

ctime: datetime.datetime | None = None

mtime: datetime.datetime | None = None

classmethod from_obj(obj)

class httk.core.entry_types.Calculation

The calculations entry type.

The calculations entry type describes calculations. Related files entries specified as relationships list files used or produced by a calculation. They MAY be defined as either input or output files by the role field inside the meta dictionary of the JSON:API resource identifier object. The allowed values are input for input files and output for output files. If the role field is not provided or the value is set to null, a default role SHOULD NOT be assumed. It is RECOMMENDED to order the output files in the list of calculation’s relationships in a way that prioritizes the files most likely to contain details which could be used to automatically analyze the performed calculation. Such an approach minimizes the number of calculation output files that need to be analyzed to possibly identify the code, type and parameters of the performed calculation.

Schema properties:

Variables:

• immutable_id –

  The entry’s immutable ID (e.g., a UUID).

  Requirements/Conventions:

  • This is important for databases having preferred IDs that point to “the latest version” of a record, but still offer access to older variants.

  • This ID maps to the version-specific record, in case it changes in the future.

• last_modified – Date and time representing when the entry was last modified.

immutable_id: str | None = None

last_modified: datetime.datetime | None = None

classmethod from_obj(obj)