classiq 0.92.0__py3-none-any.whl → 0.99.0__py3-none-any.whl

classiq/interface/chemistry/fermionic_operator.py

@@ -1,208 +0,0 @@
-from __future__ import annotations
-
-import itertools
-from typing import Union
-
-import numpy as np
-import pydantic
-from pydantic import ConfigDict
-
-from classiq.interface.exceptions import ClassiqValueError
-from classiq.interface.helpers.hashable_pydantic_base_model import (
-    HashablePydanticBaseModel,
-)
-
-LadderOperator = tuple[str, int]
-FermionicOperatorTuple = tuple["FermionicOperator", float]
-
-_SUBSCRIPT_UNICODE_CHARS = {
-    "0": "\u2080",
-    "1": "\u2081",
-    "2": "\u2082",
-    "3": "\u2083",
-    "4": "\u2084",
-    "5": "\u2085",
-    "6": "\u2086",
-    "7": "\u2087",
-    "8": "\u2088",
-    "9": "\u2089",
-}
-_SUPERSCRIPT_PLUS = "\u207a"
-
-
-class FermionicOperator(HashablePydanticBaseModel):
-    """
-    Specification of a Fermionic operator.
-    Input:
-    List of ladder operators, each ladder operator is described by a tuple of its
-    index and a character indicating if it's a creation ('+') or annihilation operator ('-').
-    """
-
-    op_list: list = pydantic.Field(
-        description=(
-            "A list of tuples each containing an index and a character; for "
-            "example [('+', 0), ('-', 1)]."
-        ),
-    )
-
-    @staticmethod
-    def _validate_single_op(op: tuple) -> LadderOperator:
-        if not isinstance(op, tuple):
-            try:  # type: ignore[unreachable] # it is reachable...
-                op = tuple(op)
-            except Exception as exc:
-                raise ClassiqValueError("Ladder operator should be a tuple.") from exc
-        if len(op) != 2:
-            raise ClassiqValueError(
-                "Ladder operator tuple should be of length two; for example ('+', 1)."
-            )
-
-        op_symbol = op[0]
-        if op_symbol == "LadderOperator.PLUS":
-            op_symbol = "+"
-        elif op_symbol == "LadderOperator.MINUS":
-            op_symbol = "-"
-        if op_symbol not in ("+", "-"):
-            raise ClassiqValueError(
-                f"The first term in a ladder operator tuple indicates if its a raising "
-                f"(LadderOperator.PLUS / '+') or lowering (LadderOperator.MINUS / '-') "
-                f"operator. Received {op_symbol}"
-            )
-        op_index = op[1]
-        if not isinstance(op_index, int):
-            raise ClassiqValueError(
-                "The second term in a ladder operator tuple indicates its index and should be of type int"
-            )
-
-        return (op_symbol, op_index)
-
-    @pydantic.field_validator("op_list")
-    @classmethod
-    def _validate_op_list(cls, op_list: list) -> list:
-        return list(map(cls._validate_single_op, op_list))
-
-    def __mul__(self, coeff: Union[float, int]) -> SummedFermionicOperator:
-        if isinstance(coeff, (float, int)):
-            return SummedFermionicOperator(op_list=[(self, float(coeff))])
-        raise ClassiqValueError(
-            "The coefficient multiplying Fermionic Operator should be of type float"
-        )
-
-    __rmul__ = __mul__
-
-    def __add__(
-        self, other: Union[SummedFermionicOperator, FermionicOperator]
-    ) -> SummedFermionicOperator:
-        if isinstance(other, SummedFermionicOperator):
-            return SummedFermionicOperator(op_list=[(self, 1.0)] + other.op_list)
-        elif isinstance(other, FermionicOperator):
-            return SummedFermionicOperator(op_list=[(self, 1.0)] + [(other, 1.0)])
-        raise ClassiqValueError(
-            "FermionicOperator can be summed together only with type FermionicOperator or SummedFermionicOperator"
-        )
-
-    model_config = ConfigDict(frozen=True)
-
-    @staticmethod
-    def _to_ladder_op(char: str) -> str:
-        return "a" + _SUPERSCRIPT_PLUS if char == "+" else "a"
-
-    @staticmethod
-    def _to_subscript(num: int) -> str:
-        return "".join(_SUBSCRIPT_UNICODE_CHARS[digit] for digit in str(num))
-
-    def __str__(self) -> str:
-        return "".join(
-            f"{self._to_ladder_op(char)}{self._to_subscript(index)}"
-            for (char, index) in self.op_list
-        )
-
-    @property
-    def all_indices(self) -> set[int]:
-        return {op[1] for op in self.op_list}
-
-
-class SummedFermionicOperator(HashablePydanticBaseModel):
-    """
-    Specification of a summed Fermionic operator.
-    Input:
-    List of fermionic operators tuples, The first term in the tuple is the FermionicOperator and the second term is its coefficient.
-    For example:
-    op1 = FermionicOperator(op_list=[('+', 0), ('-', 1)])
-    op2 = FermionicOperator(op_list=[('-', 0), ('-', 1)])
-    summed_operator = SummedFermionicOperator(op_list=[(op1, 0.2), (op2, 6.7)])
-    """
-
-    op_list: list = pydantic.Field(
-        description="A list of tuples each containing a FermionicOperator and a coefficient.",
-    )
-    model_config = ConfigDict(frozen=True)
-
-    @staticmethod
-    def _validate_single_op(op: tuple) -> FermionicOperatorTuple:
-        # is it tuple - if not, convert to tuple
-        if not isinstance(op, tuple):
-            try:  # type: ignore[unreachable] # it is reachable...
-                op = tuple(op)
-            except Exception as exc:
-                raise ClassiqValueError("Operator should be a tuple.") from exc
-        if len(op) != 2:
-            raise ClassiqValueError("Operator tuple should be of length two.")
-
-        # is it FermionicOperator - if not, convert to FermionicOperator
-        if not isinstance(op[0], FermionicOperator):
-            try:
-                op = (FermionicOperator(**op[0]), op[1])
-            except Exception as exc:
-                raise ClassiqValueError(
-                    "The first term in the operator tuple should be an instance of the FermionicOperator class"
-                ) from exc
-
-        if not isinstance(op[1], float):
-            raise ClassiqValueError(
-                "The second term in the operator tuple indicates its coefficient and should be of type float"
-            )
-
-        return op  # type: ignore[return-value] # mypy thinks that it is `Tuple[Any, ...]`, though the asserts here tell otherwise..
-
-    @pydantic.field_validator("op_list")
-    @classmethod
-    def _validate_op_list(cls, op_list: list) -> list:
-        return list(map(cls._validate_single_op, op_list))
-
-    def __add__(
-        self, other: Union[SummedFermionicOperator, FermionicOperator]
-    ) -> SummedFermionicOperator:
-        if isinstance(other, SummedFermionicOperator):
-            return SummedFermionicOperator(op_list=self.op_list + other.op_list)
-        elif isinstance(other, FermionicOperator):
-            return SummedFermionicOperator(op_list=self.op_list + [(other, 1.0)])
-        raise ClassiqValueError(
-            "FermionicOperator can be summed together only with type FermionicOperator or SummedFermionicOperator"
-        )
-
-    def is_close(self, other: SummedFermionicOperator) -> bool:
-        if not isinstance(other, SummedFermionicOperator):
-            return False  # type: ignore[unreachable]
-
-        if len(self.op_list) != len(other.op_list):
-            return False
-
-        for (op1, coeff1), (op2, coeff2) in zip(self.op_list, other.op_list):
-            if op1 != op2 or not np.isclose(coeff1, coeff2):
-                return False
-
-        return True
-
-    @property
-    def _all_indices(self) -> set[int]:
-        return set(
-            itertools.chain.from_iterable(op.all_indices for op, _ in self.op_list)
-        )
-
-    @property
-    def num_qubits(self) -> int:
-        return len(self._all_indices)
-
-    def __str__(self) -> str:
-        return " + \n".join(str(op[1]) + " * " + str(op[0]) for op in self.op_list)

classiq/interface/chemistry/ground_state_problem.py

@@ -1,132 +0,0 @@
-import warnings
-from typing import Annotated, Any, Literal, Optional, Union, cast
-
-import pydantic
-from pydantic import ConfigDict, Field
-from pydantic_core.core_schema import ValidationInfo
-
-from classiq.interface.chemistry.fermionic_operator import SummedFermionicOperator
-from classiq.interface.chemistry.molecule import Molecule
-from classiq.interface.enum_utils import StrEnum
-from classiq.interface.exceptions import ClassiqDeprecationWarning, ClassiqValueError
-from classiq.interface.helpers.hashable_pydantic_base_model import (
-    HashablePydanticBaseModel,
-)
-
-"""
-The correct type hint is:
-NumSpinUpParticles = pydantic.NonNegativeInt
-NumSpinDownParticles = pydantic.NonNegativeInt
-NumParticles = Tuple[NumSpinUpParticles, NumSpinDownParticles]
-
-But:
-A) the NonNegativeInt makes the ts-schemas have a `Minimum` object,
-    which is undefined, thus causing an error
-B) a tuple of a specific size gives another, different error
-
-Thus, we use `int` and manually check its value
-And use a list, and manually check its length
-"""
-NumSpinUpParticles = pydantic.NonNegativeInt
-NumSpinDownParticles = pydantic.NonNegativeInt
-NumParticles = tuple[NumSpinUpParticles, NumSpinDownParticles]
-
-
-class FermionMapping(StrEnum):
-    JORDAN_WIGNER = "jordan_wigner"
-    PARITY = "parity"
-    BRAVYI_KITAEV = "bravyi_kitaev"
-    FAST_BRAVYI_KITAEV = "fast_bravyi_kitaev"
-
-
-class GroundStateProblem(HashablePydanticBaseModel):
-    kind: str
-
-    mapping: FermionMapping = pydantic.Field(
-        default=FermionMapping.JORDAN_WIGNER,
-        description="Fermionic mapping type",
-        title="Fermion Mapping",
-    )
-    z2_symmetries: bool = pydantic.Field(
-        default=False,
-        description="whether to perform z2 symmetries reduction",
-    )
-    num_qubits: Optional[int] = pydantic.Field(default=None)
-
-    def __init__(self, /, **data: Any) -> None:
-        warnings.warn(
-            (
-                f"The class `{self.__class__.__name__}` is deprecated and will no "
-                "longer be supported starting on 2025-09-18 at the earliest. "
-                "For more information on Classiq's chemistry application, see "
-                "https://docs.classiq.io/latest/explore/applications/chemistry/classiq_chemistry_application/classiq_chemistry_application/."
-            ),
-            category=ClassiqDeprecationWarning,
-            stacklevel=2,
-        )
-        super().__init__(**data)
-
-    @pydantic.field_validator("z2_symmetries")
-    @classmethod
-    def _validate_z2_symmetries(cls, z2_symmetries: bool, info: ValidationInfo) -> bool:
-        if (
-            z2_symmetries
-            and info.data.get("mapping") == FermionMapping.FAST_BRAVYI_KITAEV
-        ):
-            raise ClassiqValueError(
-                "z2 symmetries reduction can not be used for fast_bravyi_kitaev mapping"
-            )
-        return z2_symmetries
-
-    model_config = ConfigDict(frozen=True)
-
-
-class MoleculeProblem(GroundStateProblem):
-    kind: Literal["molecule"] = pydantic.Field(default="molecule")
-
-    molecule: Molecule
-    basis: str = pydantic.Field(default="sto3g", description="Molecular basis set")
-    freeze_core: bool = pydantic.Field(default=False)
-    remove_orbitals: list[int] = pydantic.Field(
-        default_factory=list, description="list of orbitals to remove"
-    )
-
-
-class HamiltonianProblem(GroundStateProblem):
-    kind: Literal["hamiltonian"] = pydantic.Field(default="hamiltonian")
-
-    hamiltonian: SummedFermionicOperator = pydantic.Field(
-        description="Hamiltonian as a fermionic operator"
-    )
-    num_particles: list[pydantic.PositiveInt] = pydantic.Field(
-        description="Tuple containing the numbers of alpha particles and beta particles"
-    )
-
-    @pydantic.field_validator("num_particles", mode="before")
-    @classmethod
-    def _validate_num_particles(
-        cls,
-        num_particles: Union[
-            list[Union[int, float]], tuple[Union[int, float], Union[int, float]]
-        ],
-    ) -> list[int]:
-        assert isinstance(num_particles, (list, tuple))
-        assert len(num_particles) == 2
-
-        num_particles = [int(x) for x in num_particles]
-
-        assert num_particles[0] >= 1
-        assert num_particles[1] >= 1
-
-        return cast(list[int], num_particles)
-
-
-CHEMISTRY_PROBLEMS = (MoleculeProblem, HamiltonianProblem)
-CHEMISTRY_PROBLEMS_TYPE = Annotated[
-    Union[MoleculeProblem, HamiltonianProblem],
-    Field(
-        discriminator="kind",
-        description="Ground state problem object describing the system.",
-    ),
-]
-CHEMISTRY_ANSATZ_NAMES = ["hw_efficient", "ucc", "hva"]

classiq/interface/chemistry/ground_state_result.py

@@ -1,8 +0,0 @@
-from pydantic import BaseModel
-
-
-class MoleculeResult(BaseModel):
-    energy: float
-    nuclear_repulsion_energy: float
-    total_energy: float
-    hartree_fock_energy: float

classiq/interface/chemistry/molecule.py

@@ -1,71 +0,0 @@
-from typing import Literal, Union
-
-import pydantic
-from pydantic import ConfigDict
-
-from classiq.interface.chemistry.elements import ELEMENTS
-from classiq.interface.exceptions import ClassiqValueError
-from classiq.interface.helpers.custom_pydantic_types import AtomType
-from classiq.interface.helpers.hashable_pydantic_base_model import (
-    HashablePydanticBaseModel,
-)
-
-
-class Atom(HashablePydanticBaseModel):
-    symbol: Literal[tuple(ELEMENTS)] = pydantic.Field(description="The atom symbol")  # type: ignore[valid-type]
-    x: float = pydantic.Field(description="The x coordinate of the atom")
-    y: float = pydantic.Field(description="The y coordinate of the atom")
-    z: float = pydantic.Field(description="The z coordinate of the atom")
-
-
-class Molecule(HashablePydanticBaseModel):
-    atoms: list[Atom] = pydantic.Field(
-        description="A list of atoms each containing the atoms symbol and  its (x,y,z) location",
-        min_length=1,
-    )
-    spin: pydantic.NonNegativeInt = pydantic.Field(
-        default=1, description="spin of the molecule"
-    )
-    charge: pydantic.NonNegativeInt = pydantic.Field(
-        default=0, description="charge of the molecule"
-    )
-
-    @property
-    def atoms_type(self) -> list[AtomType]:
-        return [(atom.symbol, [atom.x, atom.y, atom.z]) for atom in self.atoms]
-
-    @classmethod
-    def _validate_atom(cls, atom: Union[AtomType, Atom]) -> Atom:
-        if isinstance(atom, (list, tuple)):
-            return cls._validate_old_atoms_type(atom)
-        return atom
-
-    @pydantic.field_validator("atoms", mode="before")
-    @classmethod
-    def _validate_atoms(cls, atoms: list[Union[AtomType, Atom]]) -> list[Atom]:
-        return [cls._validate_atom(atom) for atom in atoms]
-
-    @staticmethod
-    def _validate_old_atoms_type(atom: AtomType) -> Atom:
-        if len(atom) != 2:
-            raise ClassiqValueError(
-                "each atom should be a list of two entries: 1) name pf the elemnt (str) 2) list of its (x,y,z) location"
-            )
-        if not isinstance(atom[0], str):
-            raise ClassiqValueError(
-                f"atom name should be a string. unknown element: {atom[0]}."
-            )
-        if len(atom[1]) != 3:
-            raise ClassiqValueError(
-                f"location of the atom is of length three, representing the (x,y,z) coordinates of the atom, error value: {atom[1]}"
-            )
-        for idx in atom[1]:
-            if not isinstance(idx, (float, int)):
-                raise ClassiqValueError(
-                    f"coordinates of the atom should be of type float. error value: {idx}"
-                )
-        symbol, coordinate = atom
-
-        return Atom(symbol=symbol, x=coordinate[0], y=coordinate[1], z=coordinate[2])
-
-    model_config = ConfigDict(frozen=True)

classiq/interface/execution/iqcc.py

@@ -1,44 +0,0 @@
-from typing import Optional
-
-from pydantic import BaseModel, Field
-
-from classiq.interface.helpers.versioned_model import VersionedModel
-
-
-class IQCCInitAuthData(VersionedModel):
-    auth_scope_id: str
-    auth_method_id: str
-
-
-class IQCCInitAuthResponse(VersionedModel):
-    auth_url: str
-    token_id: str
-
-
-class IQCCProbeAuthData(IQCCInitAuthData):
-    token_id: str
-
-
-class IQCCProbeAuthResponse(VersionedModel):
-    auth_token: str
-
-
-class IQCCAuthItemDetails(BaseModel):
-    id: str
-    name: str
-    description: str
-    scope_id: Optional[str] = Field(default=None)
-
-
-class IQCCAuthItemsDetails(VersionedModel):
-    items: list[IQCCAuthItemDetails]
-
-
-class IQCCListAuthMethods(VersionedModel):
-    auth_scope_id: str
-
-
-class IQCCListAuthTargets(VersionedModel):
-    auth_scope_id: str
-    auth_method_id: str
-    auth_token: str

classiq/interface/generator/application_apis/chemistry_declarations.py

@@ -1,69 +0,0 @@
-from enum import Enum
-
-from classiq.interface.generator.functions.classical_function_declaration import (
-    ClassicalFunctionDeclaration,
-)
-from classiq.interface.generator.functions.classical_type import (
-    ClassicalArray,
-    VQEResult,
-)
-from classiq.interface.generator.functions.type_name import Struct
-from classiq.interface.model.classical_parameter_declaration import (
-    ClassicalParameterDeclaration,
-)
-
-MOLECULE_PROBLEM_PARAM = ClassicalParameterDeclaration(
-    name="molecule_problem", classical_type=Struct(name="MoleculeProblem")
-)
-
-FOCK_HAMILTONIAN_PROBLEM_PARAM = ClassicalParameterDeclaration(
-    name="fock_hamiltonian_problem",
-    classical_type=Struct(name="FockHamiltonianProblem"),
-)
-FOCK_HAMILTONIAN_SIZE = (
-    "fock_hamiltonian_problem_to_hamiltonian(fock_hamiltonian_problem)[0].pauli.len"
-)
-
-
-class ChemistryProblemType(Enum):
-    MoleculeProblem = "molecule_problem"
-    FockHamiltonianProblem = "fock_hamiltonian_problem"
-
-
-MOLECULE_PROBLEM_TO_HAMILTONIAN = ClassicalFunctionDeclaration(
-    name="molecule_problem_to_hamiltonian",
-    positional_parameters=[
-        ClassicalParameterDeclaration(
-            name="problem", classical_type=Struct(name="MoleculeProblem")
-        ),
-    ],
-    return_type=ClassicalArray(element_type=Struct(name="PauliTerm")),
-)
-
-FOCK_HAMILTONIAN_PROBLEM_TO_HAMILTONIAN = ClassicalFunctionDeclaration(
-    name="fock_hamiltonian_problem_to_hamiltonian",
-    positional_parameters=[
-        ClassicalParameterDeclaration(
-            name="problem", classical_type=Struct(name="FockHamiltonianProblem")
-        ),
-    ],
-    return_type=ClassicalArray(element_type=Struct(name="PauliTerm")),
-)
-
-
-MOLECULE_GROUND_STATE_SOLUTION_POST_PROCESS = ClassicalFunctionDeclaration(
-    name="molecule_ground_state_solution_post_process",
-    positional_parameters=[
-        ClassicalParameterDeclaration(
-            name="problem", classical_type=Struct(name="MoleculeProblem")
-        ),
-        ClassicalParameterDeclaration(name="vqe_result", classical_type=VQEResult()),
-    ],
-    return_type=Struct(name="MoleculeResult"),
-)
-
-__all__ = [
-    "FOCK_HAMILTONIAN_PROBLEM_TO_HAMILTONIAN",
-    "MOLECULE_GROUND_STATE_SOLUTION_POST_PROCESS",
-    "MOLECULE_PROBLEM_TO_HAMILTONIAN",
-]

classiq/interface/generator/application_apis/entangler_declarations.py

@@ -1,29 +0,0 @@
-from classiq.interface.generator.functions.classical_function_declaration import (
-    ClassicalFunctionDeclaration,
-)
-from classiq.interface.generator.functions.classical_type import (
-    Bool,
-    ClassicalArray,
-    Integer,
-)
-from classiq.interface.model.classical_parameter_declaration import (
-    ClassicalParameterDeclaration,
-)
-
-GRID_ENTANGLER_GRAPH = ClassicalFunctionDeclaration(
-    name="grid_entangler_graph",
-    positional_parameters=[
-        ClassicalParameterDeclaration(name="num_qubits", classical_type=Integer()),
-        ClassicalParameterDeclaration(name="schmidt_rank", classical_type=Integer()),
-        ClassicalParameterDeclaration(name="grid_randomization", classical_type=Bool()),
-    ],
-    return_type=ClassicalArray(element_type=ClassicalArray(element_type=Integer())),
-)
-
-HYPERCUBE_ENTANGLER_GRAPH = ClassicalFunctionDeclaration(
-    name="hypercube_entangler_graph",
-    positional_parameters=[
-        ClassicalParameterDeclaration(name="num_qubits", classical_type=Integer()),
-    ],
-    return_type=ClassicalArray(element_type=ClassicalArray(element_type=Integer())),
-)

classiq/interface/generator/application_apis/qsvm_declarations.py

@@ -1,6 +0,0 @@
-import enum
-
-
-class FeatureMapType(enum.Enum):
-    BlochSphere = "bloch_sphere"
-    Pauli = "pauli"

classiq/interface/generator/chemistry_function_params.py

@@ -1,50 +0,0 @@
-import pydantic
-
-from classiq.interface.chemistry.ground_state_problem import (
-    CHEMISTRY_PROBLEMS_TYPE,
-    GroundStateProblem,
-)
-from classiq.interface.exceptions import ClassiqValueError
-from classiq.interface.generator.arith.register_user_input import RegisterUserInput
-from classiq.interface.generator.function_params import (
-    DEFAULT_INPUT_NAME,
-    DEFAULT_OUTPUT_NAME,
-    FunctionParams,
-)
-
-
-class ChemistryFunctionParams(FunctionParams):
-    gs_problem: CHEMISTRY_PROBLEMS_TYPE
-
-    @pydantic.field_validator("gs_problem")
-    @classmethod
-    def validate_gs_problem_contains_num_qubits(
-        cls, gs_problem: CHEMISTRY_PROBLEMS_TYPE
-    ) -> CHEMISTRY_PROBLEMS_TYPE:
-        if not gs_problem.num_qubits:
-            raise ClassiqValueError(
-                "Ground state problem doesn't contain num_qubits. "
-                "Use update_problem method."
-            )
-
-        return gs_problem
-
-    @property
-    def num_qubits(self) -> int:
-        assert isinstance(
-            self.gs_problem, GroundStateProblem
-        ), "self.gs_problem is not from GroundStateProblem class"
-        assert isinstance(self.gs_problem.num_qubits, int)
-        return self.gs_problem.num_qubits
-
-    def _create_ios(self) -> None:
-        self._inputs = {
-            DEFAULT_INPUT_NAME: RegisterUserInput(
-                name=DEFAULT_INPUT_NAME, size=self.num_qubits
-            )
-        }
-        self._outputs = {
-            DEFAULT_OUTPUT_NAME: RegisterUserInput(
-                name=DEFAULT_OUTPUT_NAME, size=self.num_qubits
-            )
-        }