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workflow.py
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1259 lines (1143 loc) · 43.3 KB
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import asyncio
from datetime import datetime
from logging import getLogger
from pathlib import Path
from typing import Any, Dict, List, Optional
import numpy as np
import sqlalchemy
from fastapi import APIRouter, Depends
from ispyb.sqlalchemy import (
Atlas,
BLSample,
BLSampleGroup,
BLSampleGroupHasBLSample,
BLSampleImage,
BLSubSample,
)
from pydantic import BaseModel
from sqlalchemy.exc import OperationalError
from sqlmodel import col, select
from werkzeug.utils import secure_filename
try:
from PIL import Image
except ImportError:
Image = None
try:
from smartem_backend.api_client import SmartEMAPIClient
from smartem_common.schemas import (
AcquisitionData as SmartEMAcquisitionData,
GridData as SmartEMGridData,
MicrographData as SmartEMMicrographData,
MicrographManifest as SmartEMMicrographManifest,
)
SMARTEM_ACTIVE = True
except ImportError:
SMARTEM_ACTIVE = False
import murfey.server.prometheus as prom
from murfey.server import _transport_object
from murfey.server.api.auth import (
MurfeySessionIDInstrument as MurfeySessionID,
validate_instrument_token,
)
from murfey.server.feedback import (
_murfey_id,
check_tilt_series_mc,
get_all_tilts,
get_angle,
get_job_ids,
get_tomo_proc_params,
)
from murfey.server.ispyb import DB as ispyb_db, get_proposal_id
from murfey.server.murfey_db import murfey_db
from murfey.util import sanitise
from murfey.util.config import get_machine_config
from murfey.util.db import (
AutoProcProgram,
ClassificationFeedbackParameters,
DataCollection,
DataCollectionGroup,
FoilHole,
GridSquare,
Movie,
PreprocessStash,
ProcessingJob,
SearchMap,
Session,
SessionProcessingParameters,
SPARelionParameters,
Tilt,
TiltSeries,
)
from murfey.util.models import (
ProcessingParametersSPA,
ProcessingParametersTomo,
SearchMapParameters,
)
from murfey.util.processing_params import (
cryolo_model_path,
default_spa_parameters,
motion_corrected_mrc,
)
from murfey.util.tomo import midpoint
from murfey.workflows.sxt.process_sxt_tilt_series import (
SXTTiltSeriesInfo,
process_sxt_tilt_series_workflow,
)
from murfey.workflows.tomo.tomo_metadata import register_search_map_in_database
logger = getLogger("murfey.server.api.workflow")
router = APIRouter(
prefix="/workflow",
dependencies=[Depends(validate_instrument_token)],
tags=["Workflows: General"],
)
class DCGroupParameters(BaseModel):
# DC = Data collection
experiment_type_id: int
tag: str
atlas: str = ""
sample: Optional[int] = None
atlas_pixel_size: float = 0
create_smartem_grid: bool = False
acquisition_uuid: Optional[str] = None
@router.post(
"/visits/{visit_name}/sessions/{session_id}/register_data_collection_group"
)
def register_dc_group(
visit_name: str,
session_id: MurfeySessionID,
dcg_params: DCGroupParameters,
db=murfey_db,
):
ispyb_proposal_code = visit_name[:2]
ispyb_proposal_number = visit_name.split("-")[0][2:]
ispyb_visit_number = visit_name.split("-")[-1]
instrument_name = (
db.exec(select(Session).where(Session.id == session_id)).one().instrument_name
)
logger.info(f"Registering data collection group on microscope {instrument_name}")
smartem_grid_uuid = None
if (
dcg_params.create_smartem_grid
and SMARTEM_ACTIVE
and dcg_params.acquisition_uuid
):
machine_config = get_machine_config(instrument_name=instrument_name)[
instrument_name
]
if machine_config.smartem_api_url:
try:
smartem_client = SmartEMAPIClient(
base_url=machine_config.smartem_api_url, logger=logger
)
grid_data = SmartEMGridData(
data_dir=Path(dcg_params.tag),
atlas_dir=Path(dcg_params.atlas) if dcg_params.atlas else None,
acquisition_data=SmartEMAcquisitionData(
uuid=dcg_params.acquisition_uuid,
name=f"{visit_name}-sample-{dcg_params.sample}"
if dcg_params.sample
else f"{visit_name}-sample-unknown",
),
)
smartem_grid_uuid = smartem_client.create_acquisition_grid(
grid_data
).uuid
except Exception:
logger.warning("Failed to register SmartEM grid", exc_info=True)
if (
dcg_murfey := db.exec(
select(DataCollectionGroup)
.where(DataCollectionGroup.session_id == session_id)
.where(DataCollectionGroup.tag == dcg_params.tag)
).all()
) or (
(
dcg_murfey := db.exec(
select(DataCollectionGroup)
.where(DataCollectionGroup.session_id == session_id)
.where(DataCollectionGroup.sample == dcg_params.sample)
).all()
)
and dcg_params.experiment_type_id == 44
):
# Either switching atlas for a common (atlas or processing) tag
# Or registering a new atlas-type dcg for a sample that is already present
for dcg_instance in dcg_murfey:
# Update all instances in case there are multiple processing runs
dcg_instance.atlas = dcg_params.atlas or dcg_instance.atlas
dcg_instance.sample = dcg_params.sample or dcg_instance.sample
dcg_instance.atlas_pixel_size = (
dcg_params.atlas_pixel_size or dcg_instance.atlas_pixel_size
)
if smartem_grid_uuid:
dcg_instance.smartem_grid_uuid = smartem_grid_uuid
if _transport_object:
if dcg_instance.atlas_id is not None:
_transport_object.send(
_transport_object.feedback_queue,
{
"register": "atlas_update",
"tag": dcg_instance.tag,
"atlas_id": dcg_instance.atlas_id,
"atlas": dcg_params.atlas,
"sample": dcg_params.sample,
"atlas_pixel_size": dcg_params.atlas_pixel_size,
"dcgid": dcg_instance.id,
"session_id": session_id,
},
)
else:
atlas_id_response = _transport_object.do_insert_atlas(
Atlas(
dataCollectionGroupId=dcg_instance.id,
atlasImage=dcg_params.atlas,
pixelSize=dcg_params.atlas_pixel_size,
cassetteSlot=dcg_params.sample,
)
)
dcg_instance.atlas_id = atlas_id_response["return_value"]
db.add(dcg_instance)
db.commit()
search_maps = db.exec(
select(SearchMap)
.where(SearchMap.session_id == session_id)
.where(SearchMap.tag == dcg_params.tag)
).all()
search_map_params = SearchMapParameters(tag=dcg_params.tag)
for sm in search_maps:
register_search_map_in_database(
session_id, sm.name, search_map_params, db, close_db=False
)
db.close()
elif dcg_murfey := db.exec(
select(DataCollectionGroup)
.where(DataCollectionGroup.session_id == session_id)
.where(DataCollectionGroup.sample == dcg_params.sample)
.where(
col(DataCollectionGroup.tag).contains(f"/Sample{dcg_params.sample}/Atlas")
)
).all():
# Case where we switch from atlas to processing
original_tag = dcg_murfey[0].tag
dcg_murfey[0].tag = dcg_params.tag or dcg_murfey[0].tag
if _transport_object:
_transport_object.send(
_transport_object.feedback_queue,
{
"register": "experiment_type_update",
"experiment_type_id": dcg_params.experiment_type_id,
"dcgid": dcg_murfey[0].id,
},
)
db.add(dcg_murfey[0])
for grid_square in db.exec(
select(GridSquare)
.where(GridSquare.tag == original_tag)
.where(GridSquare.session_id == session_id)
).all():
grid_square.tag = dcg_params.tag or original_tag
db.add(grid_square)
db.commit()
else:
dcg_parameters = {
"start_time": str(datetime.now()),
"experiment_type_id": dcg_params.experiment_type_id,
"tag": dcg_params.tag,
"session_id": session_id,
"atlas": dcg_params.atlas,
"sample": dcg_params.sample,
"atlas_pixel_size": dcg_params.atlas_pixel_size,
}
if _transport_object:
_transport_object.send(
_transport_object.feedback_queue,
{
"register": "data_collection_group",
**dcg_parameters,
"microscope": instrument_name,
"proposal_code": ispyb_proposal_code,
"proposal_number": ispyb_proposal_number,
"visit_number": ispyb_visit_number,
**(
{"smartem_grid_uuid": smartem_grid_uuid}
if smartem_grid_uuid
else {}
),
},
)
return dcg_params
class DCParameters(BaseModel):
voltage: float
pixel_size_on_image: str
experiment_type: str
image_size_x: int
image_size_y: int
file_extension: str
acquisition_software: str
image_directory: str
tag: str
source: str
magnification: float
total_exposed_dose: Optional[float] = None
c2aperture: Optional[float] = None
exposure_time: Optional[float] = None
slit_width: Optional[float] = None
phase_plate: bool = False
data_collection_tag: str = ""
@router.post("/visits/{visit_name}/sessions/{session_id}/start_data_collection")
def start_dc(
visit_name: str, session_id: MurfeySessionID, dc_params: DCParameters, db=murfey_db
):
ispyb_proposal_code = visit_name[:2]
ispyb_proposal_number = visit_name.split("-")[0][2:]
ispyb_visit_number = visit_name.split("-")[-1]
instrument_name = (
db.exec(select(Session).where(Session.id == session_id)).one().instrument_name
)
machine_config = get_machine_config(instrument_name=instrument_name)[
instrument_name
]
rsync_basepath = (machine_config.rsync_basepath or Path("")).resolve()
logger.info(
f"Starting data collection on microscope {instrument_name!r} "
f"with basepath {sanitise(str(rsync_basepath))} and directory {sanitise(dc_params.image_directory)}"
)
dc_parameters = {
"visit": visit_name,
"image_directory": str(rsync_basepath / dc_params.image_directory),
"start_time": str(datetime.now()),
"voltage": dc_params.voltage,
"pixel_size": str(float(dc_params.pixel_size_on_image) * 1e9),
"image_suffix": dc_params.file_extension,
"experiment_type": dc_params.experiment_type,
"image_size_x": dc_params.image_size_x,
"image_size_y": dc_params.image_size_y,
"acquisition_software": dc_params.acquisition_software,
"tag": dc_params.tag,
"source": dc_params.source,
"magnification": dc_params.magnification,
"total_exposed_dose": dc_params.total_exposed_dose,
"c2aperture": dc_params.c2aperture,
"exposure_time": dc_params.exposure_time,
"slit_width": dc_params.slit_width,
"phase_plate": dc_params.phase_plate,
"session_id": session_id,
}
if _transport_object:
_transport_object.send(
_transport_object.feedback_queue,
{
"register": "data_collection",
**dc_parameters,
"microscope": instrument_name,
"proposal_code": ispyb_proposal_code,
"proposal_number": ispyb_proposal_number,
"visit_number": ispyb_visit_number,
},
)
if dc_params.exposure_time:
prom.exposure_time.set(dc_params.exposure_time)
return dc_params
class ProcessingJobParameters(BaseModel):
tag: str
source: str
recipe: str
parameters: Dict[str, Any] = {}
experiment_type: str = "spa"
@router.post("/visits/{visit_name}/sessions/{session_id}/register_processing_job")
def register_proc(
visit_name: str,
session_id: MurfeySessionID,
proc_params: ProcessingJobParameters,
db=murfey_db,
):
proc_parameters: dict = {
"session_id": session_id,
"experiment_type": proc_params.experiment_type,
"recipe": proc_params.recipe,
"source": proc_params.source,
"tag": proc_params.tag,
"job_parameters": {
k: v for k, v in proc_params.parameters.items() if v not in (None, "None")
},
}
session_processing_parameters = db.exec(
select(SessionProcessingParameters).where(
SessionProcessingParameters.session_id == session_id
)
).all()
if session_processing_parameters:
job_parameters: dict = proc_parameters["job_parameters"]
job_parameters.update(
{
"gain_ref": session_processing_parameters[0].gain_ref,
"dose_per_frame": session_processing_parameters[0].dose_per_frame,
"eer_fractionation_file": session_processing_parameters[
0
].eer_fractionation_file,
"symmetry": session_processing_parameters[0].symmetry,
}
)
proc_parameters["job_parameters"] = job_parameters
if _transport_object:
_transport_object.send(
_transport_object.feedback_queue,
{"register": "processing_job", **proc_parameters},
)
return proc_params
spa_router = APIRouter(
prefix="/workflow/spa",
dependencies=[Depends(validate_instrument_token)],
tags=["Workflows: SPA"],
)
@spa_router.post("/sessions/{session_id}/spa_processing_parameters")
def register_spa_proc_params(
session_id: MurfeySessionID, proc_params: ProcessingParametersSPA, db=murfey_db
):
session_processing_parameters = db.exec(
select(SessionProcessingParameters).where(
SessionProcessingParameters.session_id == session_id
)
).all()
if session_processing_parameters:
proc_params.gain_ref = session_processing_parameters[0].gain_ref
proc_params.dose_per_frame = session_processing_parameters[0].dose_per_frame
proc_params.eer_fractionation_file = session_processing_parameters[
0
].eer_fractionation_file
proc_params.symmetry = session_processing_parameters[0].symmetry
zocalo_message = {
"register": "spa_processing_parameters",
**dict(proc_params),
"session_id": session_id,
}
if _transport_object:
_transport_object.send(_transport_object.feedback_queue, zocalo_message)
class Tag(BaseModel):
tag: str
@spa_router.post("/visits/{visit_name}/sessions/{session_id}/flush_spa_processing")
def flush_spa_processing(
visit_name: str, session_id: MurfeySessionID, tag: Tag, db=murfey_db
):
zocalo_message = {
"register": "spa.flush_spa_preprocess",
"session_id": session_id,
"tag": tag.tag,
}
if _transport_object:
_transport_object.send(_transport_object.feedback_queue, zocalo_message)
return
class SPAProcessFile(BaseModel):
tag: str
path: str
description: str
processing_job: Optional[int] = None
data_collection_id: Optional[int] = None
image_number: int
autoproc_program_id: Optional[int] = None
foil_hole_id: Optional[int] = None
pixel_size: Optional[float] = None
dose_per_frame: Optional[float] = None
mc_binning: Optional[int] = 1
gain_ref: Optional[str] = None
extract_downscale: bool = True
eer_fractionation_file: Optional[str] = None
source: str = ""
@spa_router.post("/visits/{visit_name}/sessions/{session_id}/spa_preprocess")
async def request_spa_preprocessing(
visit_name: str,
session_id: MurfeySessionID,
proc_file: SPAProcessFile,
db=murfey_db,
):
instrument_name = (
db.exec(select(Session).where(Session.id == session_id)).one().instrument_name
)
machine_config = get_machine_config(instrument_name=instrument_name)[
instrument_name
]
mrc_out = motion_corrected_mrc(Path(proc_file.path), visit_name, machine_config)
try:
collected_ids = db.exec(
select(DataCollectionGroup, DataCollection, ProcessingJob, AutoProcProgram)
.where(DataCollectionGroup.session_id == session_id)
.where(DataCollectionGroup.tag == proc_file.tag)
.where(DataCollection.dcg_id == DataCollectionGroup.id)
.where(ProcessingJob.dc_id == DataCollection.id)
.where(AutoProcProgram.pj_id == ProcessingJob.id)
.where(ProcessingJob.recipe == "em-spa-preprocess")
).one()
params = db.exec(
select(SPARelionParameters, ClassificationFeedbackParameters)
.where(SPARelionParameters.pj_id == collected_ids[2].id)
.where(ClassificationFeedbackParameters.pj_id == SPARelionParameters.pj_id)
).one()
proc_params: Optional[dict] = dict(params[0])
feedback_params = params[1]
except sqlalchemy.exc.NoResultFound:
proc_params = None
try:
foil_hole_id = (
db.exec(
select(FoilHole, GridSquare)
.where(FoilHole.name == proc_file.foil_hole_id)
.where(FoilHole.session_id == session_id)
.where(GridSquare.id == FoilHole.grid_square_id)
.where(GridSquare.tag == proc_file.tag)
)
.one()[0]
.id
)
except Exception as e:
logger.warning(
f"Foil hole ID not found for foil hole {sanitise(str(proc_file.foil_hole_id))}: {e}",
exc_info=True,
)
foil_hole_id = None
if proc_params:
detached_ids = [c.id for c in collected_ids]
murfey_ids = _murfey_id(detached_ids[3], db, number=2, close=False)
if feedback_params.picker_murfey_id is None:
feedback_params.picker_murfey_id = murfey_ids[1]
db.add(feedback_params)
movie = Movie(
murfey_id=murfey_ids[0],
data_collection_id=detached_ids[1],
path=proc_file.path,
image_number=proc_file.image_number,
tag=proc_file.tag,
foil_hole_id=foil_hole_id,
)
db.add(movie)
db.commit()
if (
SMARTEM_ACTIVE
and machine_config.smartem_api_url
and foil_hole_id is not None
):
try:
fh_with_gs = db.exec(
select(FoilHole, GridSquare)
.where(FoilHole.id == foil_hole_id)
.where(GridSquare.id == FoilHole.grid_square_id)
).one_or_none()
if fh_with_gs is not None:
fh, gs = fh_with_gs
if fh.smartem_uuid:
smartem_client = SmartEMAPIClient(
base_url=machine_config.smartem_api_url, logger=logger
)
movie_path = Path(proc_file.path)
micrograph_manifest = SmartEMMicrographManifest(
unique_id=movie_path.stem,
acquisition_datetime=datetime.now(),
defocus=None,
detector_name="",
energy_filter=True,
phase_plate=False,
image_size_x=None,
image_size_y=None,
binning_x=1,
binning_y=1,
)
micrograph_data = SmartEMMicrographData(
id=movie_path.stem,
gridsquare_id=str(gs.name),
foilhole_uuid=fh.smartem_uuid,
foilhole_id=str(fh.name),
location_id=str(murfey_ids[0]),
high_res_path=movie_path,
manifest_file=movie_path,
manifest=micrograph_manifest,
)
response = smartem_client.create_foilhole_micrograph(
micrograph_data
)
movie.smartem_uuid = response.uuid
db.add(movie)
db.commit()
except Exception:
logger.warning(
"Failed to register micrograph with smartem", exc_info=True
)
db.close()
if not mrc_out.parent.exists():
Path(secure_filename(str(mrc_out))).parent.mkdir(
parents=True, exist_ok=True
)
recipe_name = machine_config.recipes.get(
"em-spa-preprocess", "em-spa-preprocess"
)
zocalo_message: dict = {
"recipes": [recipe_name],
"parameters": {
"node_creator_queue": machine_config.node_creator_queue,
"dcid": detached_ids[1],
"kv": proc_params["voltage"],
"autoproc_program_id": detached_ids[3],
"movie": proc_file.path,
"mrc_out": str(mrc_out),
"pixel_size": proc_params["angpix"],
"image_number": proc_file.image_number,
"microscope": instrument_name,
"mc_uuid": murfey_ids[0],
"foil_hole_id": foil_hole_id,
"ft_bin": proc_params["motion_corr_binning"],
"fm_dose": proc_params["dose_per_frame"],
"gain_ref": proc_params["gain_ref"],
"picker_uuid": murfey_ids[1],
"session_id": session_id,
"particle_diameter": proc_params["particle_diameter"] or 0,
"fm_int_file": (
proc_params["eer_fractionation_file"]
if proc_params["eer_fractionation_file"]
else proc_file.eer_fractionation_file
),
"do_icebreaker_jobs": default_spa_parameters.do_icebreaker_jobs,
"cryolo_model_weights": str(
cryolo_model_path(visit_name, instrument_name)
),
},
}
# log.info(f"Sending Zocalo message {zocalo_message}")
if _transport_object:
zocalo_message["parameters"]["feedback_queue"] = (
_transport_object.feedback_queue
)
_transport_object.send("processing_recipe", zocalo_message)
else:
logger.error(
f"Pre-processing was requested for {sanitise(Path(proc_file.path).name)} "
"but no Zocalo transport object was found"
)
return proc_file
else:
for_stash = PreprocessStash(
file_path=str(proc_file.path),
tag=proc_file.tag,
session_id=session_id,
image_number=proc_file.image_number,
mrc_out=str(mrc_out),
eer_fractionation_file=str(proc_file.eer_fractionation_file),
foil_hole_id=foil_hole_id,
)
db.add(for_stash)
db.commit()
db.close()
return proc_file
tomo_router = APIRouter(
prefix="/workflow/tomo",
dependencies=[Depends(validate_instrument_token)],
tags=["Workflows: CryoET"],
)
@tomo_router.post("/sessions/{session_id}/tomography_processing_parameters")
def register_tomo_proc_params(
session_id: MurfeySessionID, proc_params: ProcessingParametersTomo, db=murfey_db
):
session_processing_parameters = db.exec(
select(SessionProcessingParameters).where(
SessionProcessingParameters.session_id == session_id
)
).all()
if session_processing_parameters:
proc_params.gain_ref = session_processing_parameters[0].gain_ref
proc_params.dose_per_frame = session_processing_parameters[0].dose_per_frame
proc_params.eer_fractionation_file = session_processing_parameters[
0
].eer_fractionation_file
zocalo_message = {
"register": "tomography_processing_parameters",
**dict(proc_params),
"session_id": session_id,
}
if _transport_object:
_transport_object.send(_transport_object.feedback_queue, zocalo_message)
class Source(BaseModel):
rsync_source: str
@tomo_router.post(
"/visits/{visit_name}/sessions/{session_id}/flush_tomography_processing"
)
def flush_tomography_processing(
visit_name: str, session_id: MurfeySessionID, rsync_source: Source, db=murfey_db
):
zocalo_message = {
"register": "flush_tomography_preprocess",
"session_id": session_id,
"visit_name": visit_name,
"data_collection_group_tag": rsync_source.rsync_source,
}
if _transport_object:
_transport_object.send(_transport_object.feedback_queue, zocalo_message)
return
class TiltSeriesInfo(BaseModel):
session_id: int
tag: str
source: str
@tomo_router.post("/visits/{visit_name}/tilt_series")
def register_tilt_series(
visit_name: str, tilt_series_info: TiltSeriesInfo, db=murfey_db
):
session_id = tilt_series_info.session_id
if db.exec(
select(TiltSeries)
.where(TiltSeries.session_id == session_id)
.where(TiltSeries.tag == tilt_series_info.tag)
.where(TiltSeries.rsync_source == tilt_series_info.source)
).all():
return
tilt_series = TiltSeries(
session_id=session_id,
tag=tilt_series_info.tag,
rsync_source=tilt_series_info.source,
)
db.add(tilt_series)
db.commit()
class TiltSeriesGroupInfo(BaseModel):
tags: List[str]
source: str
tilt_series_lengths: List[int]
@tomo_router.post("/sessions/{session_id}/tilt_series_length")
def register_tilt_series_length(
session_id: int,
tilt_series_group: TiltSeriesGroupInfo,
db=murfey_db,
):
tilt_series_db = db.exec(
select(TiltSeries)
.where(col(TiltSeries.tag).in_(tilt_series_group.tags))
.where(TiltSeries.session_id == session_id)
.where(TiltSeries.rsync_source == tilt_series_group.source)
).all()
for ts in tilt_series_db:
ts_index = tilt_series_group.tags.index(ts.tag)
ts.tilt_series_length = tilt_series_group.tilt_series_lengths[ts_index]
db.add(ts)
db.commit()
class TomoProcessFile(BaseModel):
path: str
description: str
tag: str
image_number: int
pixel_size: float
dose_per_frame: Optional[float] = None
frame_count: int
tilt_axis: Optional[float] = None
mc_uuid: Optional[int] = None
voltage: float = 300
mc_binning: int = 1
gain_ref: Optional[str] = None
extract_downscale: int = 1
eer_fractionation_file: Optional[str] = None
group_tag: Optional[str] = None
@tomo_router.post("/visits/{visit_name}/sessions/{session_id}/tomography_preprocess")
async def request_tomography_preprocessing(
visit_name: str,
session_id: MurfeySessionID,
proc_file: TomoProcessFile,
db=murfey_db,
):
instrument_name = (
db.exec(select(Session).where(Session.id == session_id)).one().instrument_name
)
machine_config = get_machine_config(instrument_name=instrument_name)[
instrument_name
]
mrc_out = motion_corrected_mrc(Path(proc_file.path), visit_name, machine_config)
recipe_name = machine_config.recipes.get("em-tomo-preprocess", "em-tomo-preprocess")
data_collection = db.exec(
select(DataCollectionGroup, DataCollection, ProcessingJob, AutoProcProgram)
.where(DataCollectionGroup.session_id == session_id)
.where(DataCollectionGroup.tag == proc_file.group_tag)
.where(DataCollection.tag == proc_file.tag)
.where(DataCollection.dcg_id == DataCollectionGroup.id)
.where(ProcessingJob.dc_id == DataCollection.id)
.where(AutoProcProgram.pj_id == ProcessingJob.id)
.where(ProcessingJob.recipe == recipe_name)
).all()
if data_collection:
if registered_tilts := db.exec(
select(Tilt).where(Tilt.movie_path == proc_file.path)
).all():
if len(registered_tilts) == 1:
if registered_tilts[0].motion_corrected:
return proc_file
dcid = data_collection[0][1].id
appid = data_collection[0][3].id
murfey_ids = _murfey_id(appid, db, number=1, close=False)
if not mrc_out.parent.exists():
mrc_out.parent.mkdir(parents=True, exist_ok=True)
session_processing_parameters = db.exec(
select(SessionProcessingParameters).where(
SessionProcessingParameters.session_id == session_id
)
).all()
if session_processing_parameters:
proc_file.gain_ref = session_processing_parameters[0].gain_ref
proc_file.dose_per_frame = session_processing_parameters[0].dose_per_frame
proc_file.eer_fractionation_file = session_processing_parameters[
0
].eer_fractionation_file
movie = Movie(
murfey_id=murfey_ids[0],
data_collection_id=dcid,
path=proc_file.path,
image_number=proc_file.image_number,
tag=proc_file.tag,
)
db.add(movie)
db.commit()
db.close()
zocalo_message: dict = {
"recipes": [recipe_name],
"parameters": {
"node_creator_queue": machine_config.node_creator_queue,
"dcid": dcid,
# "timestamp": datetime.datetime.now(),
"autoproc_program_id": appid,
"movie": proc_file.path,
"mrc_out": str(mrc_out),
"pixel_size": (proc_file.pixel_size) * 10**10,
"image_number": proc_file.image_number,
"kv": int(proc_file.voltage),
"microscope": instrument_name,
"mc_uuid": murfey_ids[0],
"ft_bin": proc_file.mc_binning,
"fm_dose": proc_file.dose_per_frame,
"frame_count": proc_file.frame_count,
"gain_ref": (
str(
(machine_config.rsync_basepath or Path("")).resolve()
/ proc_file.gain_ref
)
if proc_file.gain_ref and machine_config.data_transfer_enabled
else proc_file.gain_ref
),
"fm_int_file": proc_file.eer_fractionation_file,
},
}
if _transport_object:
zocalo_message["parameters"]["feedback_queue"] = (
_transport_object.feedback_queue
)
_transport_object.send("processing_recipe", zocalo_message)
else:
logger.error(
f"Pre-processing was requested for {sanitise(Path(proc_file.path).name)} "
f"but no Zocalo transport object was found"
)
return proc_file
else:
for_stash = PreprocessStash(
file_path=str(proc_file.path),
session_id=session_id,
image_number=proc_file.image_number,
mrc_out=str(mrc_out),
tag=proc_file.tag,
group_tag=proc_file.group_tag,
)
db.add(for_stash)
db.commit()
db.close()
return proc_file
@tomo_router.post("/visits/{visit_name}/sessions/{session_id}/completed_tilt_series")
def register_completed_tilt_series(
visit_name: str,
session_id: MurfeySessionID,
tilt_series_group: TiltSeriesGroupInfo,
db=murfey_db,
):
tilt_series_db = db.exec(
select(TiltSeries)
.where(col(TiltSeries.tag).in_(tilt_series_group.tags))
.where(TiltSeries.session_id == session_id)
.where(TiltSeries.rsync_source == tilt_series_group.source)
).all()
for ts in tilt_series_db:
ts_index = tilt_series_group.tags.index(ts.tag)
ts.tilt_series_length = tilt_series_group.tilt_series_lengths[ts_index]
db.add(ts)
db.commit()
for ts in tilt_series_db:
if (
check_tilt_series_mc(ts.id, db)
and not ts.processing_requested
and ts.tilt_series_length > 2
):
ts.processing_requested = True
db.add(ts)
collected_ids = db.exec(
select(
DataCollectionGroup, DataCollection, ProcessingJob, AutoProcProgram
)
.where(DataCollectionGroup.session_id == session_id)
.where(DataCollectionGroup.tag == tilt_series_group.source)
.where(DataCollection.tag == ts.tag)
.where(DataCollection.dcg_id == DataCollectionGroup.id)
.where(ProcessingJob.dc_id == DataCollection.id)
.where(AutoProcProgram.pj_id == ProcessingJob.id)
.where(ProcessingJob.recipe == "em-tomo-align")
).one()
instrument_name = (
db.exec(select(Session).where(Session.id == session_id))
.one()
.instrument_name
)
machine_config = get_machine_config(instrument_name=instrument_name)[
instrument_name
]
tilts = get_all_tilts(ts.id, db)
ids = get_job_ids(ts.id, collected_ids[3].id, db)
preproc_params = get_tomo_proc_params(ids.dcgid, db)
first_tilt = db.exec(
select(Tilt).where(Tilt.tilt_series_id == ts.id)
).first()
parts = [secure_filename(p) for p in Path(first_tilt.movie_path).parts]
visit_idx = parts.index(visit_name)
core = Path(*Path(first_tilt.movie_path).parts[: visit_idx + 1])
ppath = Path(
"/".join(secure_filename(p) for p in Path(first_tilt.movie_path).parts)
)
sub_dataset = "/".join(ppath.relative_to(core).parts[:-1])
extra_path = machine_config.processed_extra_directory
stack_file = (
core
/ machine_config.processed_directory_name
/ sub_dataset
/ extra_path
/ "Tomograms"
/ "job006"
/ "tomograms"
/ f"{ts.tag}_stack.mrc"
)
if not stack_file.parent.exists():
stack_file.parent.mkdir(parents=True)
tilt_offset = midpoint([float(get_angle(t)) for t in tilts])
zocalo_message = {
"recipes": ["em-tomo-align"],
"parameters": {
"input_file_list": str([[t, str(get_angle(t))] for t in tilts]),
"path_pattern": "", # blank for now so that it works with the tomo_align service changes
"dcid": ids.dcid,
"appid": ids.appid,
"stack_file": str(stack_file),
"dose_per_frame": preproc_params.dose_per_frame,