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57 changes: 53 additions & 4 deletions src/ispyb/sqlalchemy/_auto_db_schema.py
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
__schema_version__ = "4.12.0"
__schema_version__ = "5.0.0"
import datetime
import decimal
from typing import List, Optional
Expand Down Expand Up @@ -2585,6 +2585,9 @@ class Component(Base):
"ComponentType", back_populates="Component"
)
Proposal: Mapped["Proposal"] = relationship("Proposal", back_populates="Component")
Protein_has_Component: Mapped[List["ProteinHasComponent"]] = relationship(
"ProteinHasComponent", back_populates="Component"
)
CrystalComposition: Mapped[List["CrystalComposition"]] = relationship(
"CrystalComposition", back_populates="Component"
)
Expand Down Expand Up @@ -2949,7 +2952,7 @@ class Ligand(Base):
proposalId: Mapped[int] = mapped_column(
INTEGER(10), comment="References Proposal table"
)
name: Mapped[str] = mapped_column(String(30), comment="Ligand name")
name: Mapped[str] = mapped_column(String(255))
SMILES: Mapped[Optional[str]] = mapped_column(
String(400), comment="Chemical structure"
)
Expand Down Expand Up @@ -3230,6 +3233,9 @@ class Protein(Base):
"ComponentLattice", back_populates="Protein"
)
Crystal: Mapped[List["Crystal"]] = relationship("Crystal", back_populates="Protein")
Protein_has_Component: Mapped[List["ProteinHasComponent"]] = relationship(
"ProteinHasComponent", back_populates="Protein"
)
Protein_has_PDB: Mapped[List["ProteinHasPDB"]] = relationship(
"ProteinHasPDB", back_populates="Protein"
)
Expand Down Expand Up @@ -3726,6 +3732,44 @@ class ExperimentKindDetails(Base):
)


class ProteinHasComponent(Base):
__tablename__ = "Protein_has_Component"
__table_args__ = (
ForeignKeyConstraint(
["componentId"],
["Component.componentId"],
ondelete="CASCADE",
onupdate="CASCADE",
name="Protein_has_Component_fk_componentId",
),
ForeignKeyConstraint(
["proteinId"],
["Protein.proteinId"],
ondelete="CASCADE",
onupdate="CASCADE",
name="Protein_has_Component_fk_proteinId",
),
Index("Protein_has_Component_fk_componentId", "componentId"),
Index("Protein_has_Component_fk_proteinId", "proteinId"),
{"comment": "Which elements are contained inside a molecule"},
)

proteinHasComponentId: Mapped[int] = mapped_column(INTEGER(11), primary_key=True)
proteinId: Mapped[int] = mapped_column(
INTEGER(10), comment="References Protein table"
)
componentId: Mapped[int] = mapped_column(
INTEGER(10), comment="References Component table"
)

Component: Mapped["Component"] = relationship(
"Component", back_populates="Protein_has_Component"
)
Protein: Mapped["Protein"] = relationship(
"Protein", back_populates="Protein_has_Component"
)


class ProteinHasPDB(Base):
__tablename__ = "Protein_has_PDB"
__table_args__ = (
Expand Down Expand Up @@ -5771,6 +5815,7 @@ class LaserParameters(Base):
name="LaserParameters_fk_robotActionId",
),
Index("LaserParameters_fk_robotActionId", "robotActionId"),
Index("LaserParameters_robotActionId_uc1", "robotActionId", unique=True),
{"comment": "Laser parameters"},
)

Expand Down Expand Up @@ -6429,6 +6474,12 @@ class LaserPoint(Base):
name="LaserPoint_fk_laserParametersId",
),
Index("LaserPoint_fk_laserParametersId", "laserParametersId"),
Index(
"LaserPoint_laserParametersId_pointIndex_uc1",
"laserParametersId",
"pointIndex",
unique=True,
),
{"comment": "Laser points"},
)

Expand Down Expand Up @@ -6874,8 +6925,6 @@ class GridInfo(Base):
Enum("vertical", "horizontal"), server_default=text("'horizontal'")
)
dataCollectionGroupId: Mapped[Optional[int]] = mapped_column(INTEGER(11))
pixelsPerMicronX: Mapped[Optional[float]] = mapped_column(Float)
pixelsPerMicronY: Mapped[Optional[float]] = mapped_column(Float)
snapshot_offsetXPixel: Mapped[Optional[float]] = mapped_column(Float)
snapshot_offsetYPixel: Mapped[Optional[float]] = mapped_column(Float)
snaked: Mapped[Optional[int]] = mapped_column(
Expand Down