Merge pull request DiamondLightSource/hyperion#1368 from DiamondLight…

…Source/1360_handle_characterisation

Correctly handle passed-in ISPyB experiment type (i.e. "characterization")

src/hyperion/external_interaction/callbacks/rotation/ispyb_callback.py

@@ -16,14 +16,14 @@
 )
 from hyperion.external_interaction.ispyb.data_model import (
     DataCollectionInfo,
-    ExperimentType,
     ScanDataInfo,
 )
 from hyperion.external_interaction.ispyb.ispyb_store import (
     IspybIds,
     StoreInIspyb,
 )
 from hyperion.log import ISPYB_LOGGER, set_dcgid_tag
+from hyperion.parameters.components import IspybExperimentType
 from hyperion.parameters.constants import CONST
 from hyperion.parameters.plan_specific.rotation_scan_internal_params import (
     RotationInternalParameters,
@@ -92,10 +92,12 @@ def activity_gated_start(self, doc: RunStart):
             if experiment_type:
                 self.ispyb = StoreInIspyb(
                     self.ispyb_config,
-                    ExperimentType(experiment_type),
+                    IspybExperimentType(experiment_type),
                 )
             else:
-                self.ispyb = StoreInIspyb(self.ispyb_config, ExperimentType.ROTATION)
+                self.ispyb = StoreInIspyb(
+                    self.ispyb_config, IspybExperimentType.ROTATION
+                )
             ISPYB_LOGGER.info("Beginning ispyb deposition")
             data_collection_group_info = populate_data_collection_group(
                 self.ispyb.experiment_type,

src/hyperion/external_interaction/callbacks/xray_centre/ispyb_callback.py

@@ -23,14 +23,14 @@
 from hyperion.external_interaction.exceptions import ISPyBDepositionNotMade
 from hyperion.external_interaction.ispyb.data_model import (
     DataCollectionInfo,
-    ExperimentType,
     ScanDataInfo,
 )
 from hyperion.external_interaction.ispyb.ispyb_store import (
     IspybIds,
     StoreInIspyb,
 )
 from hyperion.log import ISPYB_LOGGER, set_dcgid_tag
+from hyperion.parameters.components import IspybExperimentType
 from hyperion.parameters.constants import CONST
 from hyperion.parameters.plan_specific.gridscan_internal_params import (
     GridscanInternalParameters,
@@ -93,7 +93,9 @@ def activity_gated_start(self, doc: RunStart):
             )
             json_params = doc.get("hyperion_internal_parameters")
             self.params = GridscanInternalParameters.from_json(json_params)
-            self.ispyb = StoreInIspyb(self.ispyb_config, ExperimentType.GRIDSCAN_3D)
+            self.ispyb = StoreInIspyb(
+                self.ispyb_config, IspybExperimentType.GRIDSCAN_3D
+            )
             data_collection_group_info = populate_data_collection_group(
                 self.ispyb.experiment_type,
                 self.params.hyperion_params.detector_params,

src/hyperion/external_interaction/ispyb/data_model.py

@@ -1,55 +1,9 @@
 from dataclasses import asdict, dataclass
-from enum import Enum
 from typing import Optional
 
 from hyperion.external_interaction.ispyb.ispyb_dataclass import Orientation
 
 
-class ExperimentType(Enum):
-    # Enum values from ispyb column data type
-    SAD = "SAD"  # at or slightly above the peak
-    SAD_INVERSE_BEAM = "SAD - Inverse Beam"
-    OSC = "OSC"  # "native" (in the absence of a heavy atom)
-    COLLECT_MULTIWEDGE = (
-        "Collect - Multiwedge"  # "poorly determined" ~ EDNA complex strategy???
-    )
-    MAD = "MAD"
-    HELICAL = "Helical"
-    MULTI_POSITIONAL = "Multi-positional"
-    MESH = "Mesh"
-    BURN = "Burn"
-    MAD_INVERSE_BEAM = "MAD - Inverse Beam"
-    CHARACTERIZATION = "Characterization"
-    DEHYDRATION = "Dehydration"
-    TOMO = "tomo"
-    EXPERIMENT = "experiment"
-    EM = "EM"
-    PDF = "PDF"
-    PDF_BRAGG = "PDF+Bragg"
-    BRAGG = "Bragg"
-    SINGLE_PARTICLE = "single particle"
-    SERIAL_FIXED = "Serial Fixed"
-    SERIAL_JET = "Serial Jet"
-    STANDARD = "Standard"  # Routine structure determination experiment
-    TIME_RESOLVED = "Time Resolved"  # Investigate the change of a system over time
-    DLS_ANVIL_HP = "Diamond Anvil High Pressure"  # HP sample environment pressure cell
-    CUSTOM = "Custom"  # Special or non-standard data collection
-    XRF_MAP = "XRF map"
-    ENERGY_SCAN = "Energy scan"
-    XRF_SPECTRUM = "XRF spectrum"
-    XRF_MAP_XAS = "XRF map xas"
-    MESH_3D = "Mesh3D"
-    SCREENING = "Screening"
-    STILL = "Still"
-    SSX_CHIP = "SSX-Chip"
-    SSX_JET = "SSX-Jet"
-
-    # Aliases for historic hyperion experiment type mapping
-    ROTATION = "SAD"
-    GRIDSCAN_2D = "mesh"
-    GRIDSCAN_3D = "Mesh3D"
-
-
 @dataclass()
 class DataCollectionGroupInfo:
     visit_string: str

src/hyperion/external_interaction/ispyb/ispyb_store.py

@@ -15,14 +15,14 @@
     DataCollectionGridInfo,
     DataCollectionGroupInfo,
     DataCollectionInfo,
-    ExperimentType,
     ScanDataInfo,
 )
 from hyperion.external_interaction.ispyb.ispyb_utils import (
     get_current_time_string,
     get_session_id_from_visit,
 )
 from hyperion.log import ISPYB_LOGGER
+from hyperion.parameters.components import IspybExperimentType
 from hyperion.tracing import TRACER
 
 if TYPE_CHECKING:
@@ -39,7 +39,7 @@ class IspybIds(BaseModel):
 
 
 class StoreInIspyb(ABC):
-    def __init__(self, ispyb_config: str, experiment_type: ExperimentType) -> None:
+    def __init__(self, ispyb_config: str, experiment_type: IspybExperimentType) -> None:
         self.ISPYB_CONFIG_PATH: str = ispyb_config
         self._data_collection_group_id: int | None
         self._experiment_type = experiment_type

src/hyperion/parameters/components.py

@@ -2,7 +2,7 @@
 
 import datetime
 from abc import abstractmethod
-from enum import Enum
+from enum import StrEnum
 from pathlib import Path
 from typing import Sequence, SupportsInt, TypeVar
 
@@ -45,19 +45,64 @@ def __modify_schema__(cls, field_schema):
 PARAMETER_VERSION = ParameterVersion.parse("5.0.0")
 
 
-class RotationAxis(str, Enum):
+class RotationAxis(StrEnum):
     OMEGA = "omega"
     PHI = "phi"
     CHI = "chi"
     KAPPA = "kappa"
 
 
-class XyzAxis(str, Enum):
+class XyzAxis(StrEnum):
     X = "sam_x"
     Y = "sam_y"
     Z = "sam_z"
 
 
+class IspybExperimentType(StrEnum):
+    # Enum values from ispyb column data type
+    SAD = "SAD"  # at or slightly above the peak
+    SAD_INVERSE_BEAM = "SAD - Inverse Beam"
+    OSC = "OSC"  # "native" (in the absence of a heavy atom)
+    COLLECT_MULTIWEDGE = (
+        "Collect - Multiwedge"  # "poorly determined" ~ EDNA complex strategy???
+    )
+    MAD = "MAD"
+    HELICAL = "Helical"
+    MULTI_POSITIONAL = "Multi-positional"
+    MESH = "Mesh"
+    BURN = "Burn"
+    MAD_INVERSE_BEAM = "MAD - Inverse Beam"
+    CHARACTERIZATION = "Characterization"
+    DEHYDRATION = "Dehydration"
+    TOMO = "tomo"
+    EXPERIMENT = "experiment"
+    EM = "EM"
+    PDF = "PDF"
+    PDF_BRAGG = "PDF+Bragg"
+    BRAGG = "Bragg"
+    SINGLE_PARTICLE = "single particle"
+    SERIAL_FIXED = "Serial Fixed"
+    SERIAL_JET = "Serial Jet"
+    STANDARD = "Standard"  # Routine structure determination experiment
+    TIME_RESOLVED = "Time Resolved"  # Investigate the change of a system over time
+    DLS_ANVIL_HP = "Diamond Anvil High Pressure"  # HP sample environment pressure cell
+    CUSTOM = "Custom"  # Special or non-standard data collection
+    XRF_MAP = "XRF map"
+    ENERGY_SCAN = "Energy scan"
+    XRF_SPECTRUM = "XRF spectrum"
+    XRF_MAP_XAS = "XRF map xas"
+    MESH_3D = "Mesh3D"
+    SCREENING = "Screening"
+    STILL = "Still"
+    SSX_CHIP = "SSX-Chip"
+    SSX_JET = "SSX-Jet"
+
+    # Aliases for historic hyperion experiment type mapping
+    ROTATION = "SAD"
+    GRIDSCAN_2D = "mesh"
+    GRIDSCAN_3D = "Mesh3D"
+
+
 class HyperionParameters(BaseModel):
     class Config:
         arbitrary_types_allowed = True
@@ -103,6 +148,7 @@ class DiffractionExperiment(HyperionParameters):
     detector_distance_mm: float | None = Field(default=None, gt=0)
     demand_energy_ev: float | None = Field(default=None, gt=0)
     run_number: int | None = Field(default=None, ge=0)
+    ispyb_experiment_type: IspybExperimentType | None = None
     storage_directory: str
 
     @property
@@ -202,4 +248,3 @@ class Config:
     xtal_snapshots_omega_start: list[str] | None = None
     xtal_snapshots_omega_end: list[str] | None = None
     xtal_snapshots: list[str] | None = None
-    ispyb_experiment_type: str | None = None

src/hyperion/parameters/gridscan.py

@@ -76,7 +76,7 @@ def ispyb_params(self):
             xtal_snapshots_omega_start=self.ispyb_extras.xtal_snapshots_omega_start
             or [],
             xtal_snapshots_omega_end=self.ispyb_extras.xtal_snapshots_omega_end or [],
-            ispyb_experiment_type=self.ispyb_extras.ispyb_experiment_type,
+            ispyb_experiment_type=self.ispyb_experiment_type,
         )
 
     @property

src/hyperion/parameters/rotation.py

@@ -18,6 +18,7 @@
 from hyperion.external_interaction.ispyb.ispyb_dataclass import RotationIspybParams
 from hyperion.parameters.components import (
     DiffractionExperiment,
+    IspybExperimentType,
     OptionalGonioAngleStarts,
     OptionalXyzStarts,
     RotationAxis,
@@ -46,6 +47,9 @@ class RotationScan(
     scan_width_deg: float = Field(default=360, gt=0)
     rotation_increment_deg: float = Field(default=0.1, gt=0)
     rotation_direction: RotationDirection = Field(default=RotationDirection.NEGATIVE)
+    ispyb_experiment_type: IspybExperimentType = Field(
+        default=IspybExperimentType.ROTATION
+    )
     transmission_frac: float
     ispyb_extras: TemporaryIspybExtras
 
@@ -92,7 +96,7 @@ def ispyb_params(self):  # pyright: ignore
             undulator_gap=self.ispyb_extras.undulator_gap,
             xtal_snapshots_omega_start=self.ispyb_extras.xtal_snapshots_omega_start,
             xtal_snapshots_omega_end=self.ispyb_extras.xtal_snapshots_omega_end,
-            ispyb_experiment_type="SAD",
+            ispyb_experiment_type=self.ispyb_experiment_type,
         )
 
     @property

tests/system_tests/external_interaction/conftest.py

@@ -9,8 +9,8 @@
 from sqlalchemy import create_engine
 from sqlalchemy.orm import sessionmaker
 
-from hyperion.external_interaction.ispyb.data_model import ExperimentType
 from hyperion.external_interaction.ispyb.ispyb_store import StoreInIspyb
+from hyperion.parameters.components import IspybExperimentType
 from hyperion.parameters.constants import CONST
 from hyperion.parameters.plan_specific.gridscan_internal_params import (
     GridscanInternalParameters,
@@ -159,12 +159,16 @@ def dummy_params():
 
 @pytest.fixture
 def dummy_ispyb(dummy_params) -> StoreInIspyb:
-    return StoreInIspyb(CONST.SIM.DEV_ISPYB_DATABASE_CFG, ExperimentType.GRIDSCAN_2D)
+    return StoreInIspyb(
+        CONST.SIM.DEV_ISPYB_DATABASE_CFG, IspybExperimentType.GRIDSCAN_2D
+    )
 
 
 @pytest.fixture
 def dummy_ispyb_3d(dummy_params) -> StoreInIspyb:
-    return StoreInIspyb(CONST.SIM.DEV_ISPYB_DATABASE_CFG, ExperimentType.GRIDSCAN_3D)
+    return StoreInIspyb(
+        CONST.SIM.DEV_ISPYB_DATABASE_CFG, IspybExperimentType.GRIDSCAN_3D
+    )
 
 
 @pytest.fixture

tests/system_tests/external_interaction/test_ispyb_dev_connection.py

@@ -45,14 +45,14 @@
 )
 from hyperion.external_interaction.ispyb.data_model import (
     DataCollectionGridInfo,
-    ExperimentType,
     ScanDataInfo,
 )
 from hyperion.external_interaction.ispyb.ispyb_dataclass import Orientation
 from hyperion.external_interaction.ispyb.ispyb_store import (
     IspybIds,
     StoreInIspyb,
 )
+from hyperion.parameters.components import IspybExperimentType
 from hyperion.parameters.constants import CONST
 from hyperion.parameters.gridscan import GridScanWithEdgeDetect
 from hyperion.parameters.plan_specific.rotation_scan_internal_params import (
@@ -205,7 +205,7 @@
 @pytest.fixture
 def dummy_data_collection_group_info(dummy_params):
     return populate_data_collection_group(
-        ExperimentType.GRIDSCAN_2D.value,
+        IspybExperimentType.GRIDSCAN_2D.value,
         dummy_params.hyperion_params.detector_params,
         dummy_params.hyperion_params.ispyb_params,
     )
@@ -491,7 +491,7 @@ def test_ispyb_deposition_comment_correct_for_3D_on_failure(
     scan_data_infos = generate_scan_data_infos(
         dummy_params,
         dummy_scan_data_info_for_begin,
-        ExperimentType.GRIDSCAN_3D,
+        IspybExperimentType.GRIDSCAN_3D,
         ispyb_ids,
     )
     ispyb_ids = dummy_ispyb_3d.update_deposition(ispyb_ids, scan_data_infos)
@@ -512,10 +512,10 @@ def test_ispyb_deposition_comment_correct_for_3D_on_failure(
 @pytest.mark.parametrize(
     "experiment_type, exp_num_of_grids, success",
     [
-        (ExperimentType.GRIDSCAN_2D, 1, False),
-        (ExperimentType.GRIDSCAN_2D, 1, True),
-        (ExperimentType.GRIDSCAN_3D, 2, False),
-        (ExperimentType.GRIDSCAN_3D, 2, True),
+        (IspybExperimentType.GRIDSCAN_2D, 1, False),
+        (IspybExperimentType.GRIDSCAN_2D, 1, True),
+        (IspybExperimentType.GRIDSCAN_3D, 2, False),
+        (IspybExperimentType.GRIDSCAN_3D, 2, True),
     ],
 )
 def test_can_store_2D_ispyb_data_correctly_when_in_error(
@@ -573,14 +573,14 @@ def test_can_store_2D_ispyb_data_correctly_when_in_error(
 def generate_scan_data_infos(
     dummy_params,
     dummy_scan_data_info_for_begin: ScanDataInfo,
-    experiment_type: ExperimentType,
+    experiment_type: IspybExperimentType,
     ispyb_ids: IspybIds,
 ) -> Sequence[ScanDataInfo]:
     xy_scan_data_info = scan_xy_data_info_for_update(
         ispyb_ids.data_collection_group_id, dummy_params, dummy_scan_data_info_for_begin
     )
     xy_scan_data_info.data_collection_id = ispyb_ids.data_collection_ids[0]
-    if experiment_type == ExperimentType.GRIDSCAN_3D:
+    if experiment_type == IspybExperimentType.GRIDSCAN_3D:
         scan_data_infos = scan_data_infos_for_update_3d(
             ispyb_ids, xy_scan_data_info, dummy_params
         )