Commit 369779fa authored by Markus Scheidgen's avatar Markus Scheidgen
Browse files

Extended the datamodel to also cover the and processing module.

parent 971beb83
......@@ -46,7 +46,7 @@ from sqlalchemy.ext.declarative import declarative_base
from sqlalchemy.dialects.postgresql import BYTEA
from nomad import utils, infrastructure, datamodel
from nomad.repo import RepoCalc
from nomad.repo import RepoUpload, RepoCalc
Base = declarative_base()
......@@ -63,7 +63,7 @@ class UploadMetaData:
return self._calc_data.get(mainfile, self._upload_data)
def add_upload(upload, meta_data: dict = {}) -> int:
def add_upload(upload: datamodel.Upload, meta_data: dict = {}) -> int:
Add the processed upload to the NOMAD-coe repository db. It creates an
uploads-entry, respective calculation and property entries. Everything in one
......@@ -85,7 +85,7 @@ def add_upload(upload, meta_data: dict = {}) -> int:
logger = utils.get_logger(
result = None
......@@ -95,16 +95,16 @@ def add_upload(upload, meta_data: dict = {}) -> int:
coe_upload = Upload(
created=meta_data.get('_upload_time', upload.upload_time),
# add calculations and metadata
has_calcs = False
for repo_calc in RepoCalc.upload_calcs(upload.upload_id):
for calc in
has_calcs = True
upload, coe_upload, repo_calc, upload_meta_data.get(repo_calc.mainfile))
coe_upload,, upload_meta_data.get(calc.mainfile))
# commit
if has_calcs:
......@@ -124,14 +124,14 @@ def add_upload(upload, meta_data: dict = {}) -> int:
return result
def add_calculation(upload, coe_upload, calc: RepoCalc, calc_meta_data: dict) -> None:
def add_calculation(upload: 'Upload', calc: RepoCalc, calc_meta_data: dict) -> None:
repo_db = infrastructure.repository_db
# table based properties
coe_calc = Calc(
calc_id=calc_meta_data.get('_pid', None),
checksum=calc_meta_data.get('_checksum', calc.calc_hash),
program_version = calc.program_version # TODO shorten version names
......@@ -465,6 +465,10 @@ class User(Base): # type: ignore
def _generate_auth_token(self, expiration=600):
assert False, 'Login functions are done by the NOMAD-coe repository GUI'
def from_user_id(user_id) -> 'User':
return infrastructure.repository_db.query(User).get(user_id)
def get_auth_token(self):
repo_db = infrastructure.repository_db
session = repo_db.query(Session).filter_by(user_id=self.user_id).first()
......@@ -26,7 +26,7 @@ import datetime
T = TypeVar('T')
class Entity:
class Entity():
def create_from(cls: Type[T], obj) -> T:
raise NotImplementedError
......@@ -39,7 +39,13 @@ class Entity:
class Calc(Entity):
pid: The persistent id (pid) for the calculation
mainfile: The mainfile path relative to upload root
calc_hash: A unique hash/checksum that describes unique calculations
upload: The upload object that this calculation belongs to.
def pid(self) -> Union[int, str]:
raise NotImplementedError
......@@ -48,13 +54,24 @@ class Calc(Entity):
def mainfile(self) -> str:
raise NotImplementedError
def calc_hash(self) -> str:
raise NotImplementedError
def upload(self) -> 'Upload':
raise NotImplementedError
class Upload(Entity):
upload_uuid(str): The unique random id that each upload has
upload_hash(str): The hash/checksum that describes unique uploads
upload_time(datatime): The upload time
uploader(repo.User): The user that uploaded this upload
calcs(Iterable[Calc]): An iterable over the calculations of this upload
def upload_uuid(self) -> str:
return '<not assigned>'
......@@ -31,7 +31,7 @@ import logging
from structlog import wrap_logger
from contextlib import contextmanager
from nomad import utils, coe_repo
from nomad import utils, coe_repo, datamodel
from nomad.files import UploadFile, ArchiveFile, ArchiveLogFile, File
from nomad.repo import RepoCalc
from nomad.processing.base import Proc, Chord, process, task, PENDING, SUCCESS, FAILURE
......@@ -43,7 +43,7 @@ from nomad.utils import lnr
class NotAllowedDuringProcessing(Exception): pass
class Calc(Proc):
class Calc(Proc, datamodel.Calc):
Instances of this class represent calculations. This class manages the elastic
search index entry, files, and archive for the respective calculation.
......@@ -88,6 +88,10 @@ class Calc(Proc):
def mainfile_file(self) -> File:
return File(self.mainfile_tmp_path)
def calc_hash(self) -> str:
return utils.archive.calc_hash(self.archive_id)
def upload(self) -> 'Upload':
if not self._upload:
......@@ -263,12 +267,13 @@ class Calc(Proc):
with utils.timer(logger, 'indexed', step='index'):
# persist to elastic search
repo_calc = RepoCalc.create_from_backend(
with utils.timer(
logger, 'archived', step='archive',
......@@ -292,7 +297,7 @@ class Calc(Proc):
class Upload(Chord):
class Upload(Chord, datamodel.Upload):
Represents uploads in the databases. Provides persistence access to the files storage,
and processing state.
......@@ -347,6 +352,14 @@ class Upload(Chord):
""" Returns all uploads for the given user. Currently returns all uploads. """
return cls.objects(user_id=str(user.user_id), in_staging=True)
def upload_uuid(self):
return self.upload_id
def uploader(self):
return coe_repo.User.from_user_id(self.user_id)
def get_logger(self, **kwargs):
logger = super().get_logger()
logger = logger.bind(upload_id=self.upload_id, **kwargs)
......@@ -547,3 +560,7 @@ class Upload(Chord):
def all_calcs(self, start, end, order_by='mainfile'):
return Calc.objects(upload_id=self.upload_id)[start:end].order_by(order_by)
def calcs(self):
return Calc.objects(upload_id=self.upload_id)
......@@ -29,7 +29,7 @@ from elasticsearch_dsl import Document as ElasticDocument, Search, Date, Keyword
from datetime import datetime
import time
from nomad import config, infrastructure
from nomad import config, infrastructure, datamodel
from nomad.parsing import LocalBackend
from nomad.utils import get_logger
......@@ -44,7 +44,21 @@ key_mappings = {
class AlreadyExists(Exception): pass
class RepoCalc(ElasticDocument):
class RepoUpload(datamodel.Entity):
def __init__(self, upload_uuid, upload_hash):
self.upload_uuid = upload_uuid
self.upload_hash = upload_hash
def create_from(cls, obj):
return RepoUpload(obj.upload_uuid, obj.upload_hash)
def calcs(self):
return RepoCalc.upload_calcs(self.upload_uuid)
class RepoCalc(ElasticDocument, datamodel.Entity):
Elastic search document that represents a calculation. It is supposed to be a
component of :class:`Calc`. Should only be created by its parent :class:`Calc`
......@@ -78,6 +92,10 @@ class RepoCalc(ElasticDocument):
aux_files = Keyword()
def upload(self):
return RepoUpload(self.upload_id, self.upload_hash)
def archive_id(self) -> str:
""" The unique id for this calculation. """
......@@ -45,6 +45,7 @@ def assert_coe_upload(upload_hash, empty=False, meta_data={}):
if empty:
assert coe_upload is None
assert coe_upload is not None
assert len(coe_upload.calcs) > 0
for calc in coe_upload.calcs:
assert_coe_calc(calc, meta_data=meta_data)
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