hpcflow-new2 0.2.0a211__py3-none-any.whl → 0.2.0a212__py3-none-any.whl

hpcflow/sdk/core/element.py

@@ -874,8 +874,7 @@ class ElementIteration(AppAware):
         typ: str | None = None,
         as_strings: Literal[True],
         use_task_index: bool = False,
-    ) -> Mapping[str, str]:
-        ...
+    ) -> Mapping[str, str]: ...
 
     @overload
     def get_parameter_sources(
@@ -887,8 +886,7 @@ class ElementIteration(AppAware):
         typ: str | None = None,
         as_strings: Literal[False] = False,
         use_task_index: bool = False,
-    ) -> Mapping[str, ParamSource | list[ParamSource]]:
-        ...
+    ) -> Mapping[str, ParamSource | list[ParamSource]]: ...
 
     @TimeIt.decorator
     def get_parameter_sources(
@@ -980,15 +978,13 @@ class ElementIteration(AppAware):
     def get_EAR_dependencies(
         self,
         as_objects: Literal[False] = False,
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     @overload
     def get_EAR_dependencies(
         self,
         as_objects: Literal[True],
-    ) -> list[ElementActionRun]:
-        ...
+    ) -> list[ElementActionRun]: ...
 
     @TimeIt.decorator
     def get_EAR_dependencies(
@@ -1023,14 +1019,12 @@ class ElementIteration(AppAware):
     @overload
     def get_element_iteration_dependencies(
         self, as_objects: Literal[True]
-    ) -> list[ElementIteration]:
-        ...
+    ) -> list[ElementIteration]: ...
 
     @overload
     def get_element_iteration_dependencies(
         self, as_objects: Literal[False] = False
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     @TimeIt.decorator
     def get_element_iteration_dependencies(
@@ -1048,15 +1042,13 @@ class ElementIteration(AppAware):
     def get_element_dependencies(
         self,
         as_objects: Literal[False] = False,
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     @overload
     def get_element_dependencies(
         self,
         as_objects: Literal[True],
-    ) -> list[Element]:
-        ...
+    ) -> list[Element]: ...
 
     @TimeIt.decorator
     def get_element_dependencies(
@@ -1085,12 +1077,10 @@ class ElementIteration(AppAware):
         return out
 
     @overload
-    def get_task_dependencies(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_task_dependencies(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     @overload
-    def get_task_dependencies(self, as_objects: Literal[True]) -> list[WorkflowTask]:
-        ...
+    def get_task_dependencies(self, as_objects: Literal[True]) -> list[WorkflowTask]: ...
 
     def get_task_dependencies(
         self, as_objects: bool = False
@@ -1128,12 +1118,10 @@ class ElementIteration(AppAware):
             yield from elem.iterations
 
     @overload
-    def get_dependent_EARs(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_dependent_EARs(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     @overload
-    def get_dependent_EARs(self, as_objects: Literal[True]) -> list[ElementActionRun]:
-        ...
+    def get_dependent_EARs(self, as_objects: Literal[True]) -> list[ElementActionRun]: ...
 
     @TimeIt.decorator
     def get_dependent_EARs(
@@ -1157,14 +1145,12 @@ class ElementIteration(AppAware):
     @overload
     def get_dependent_element_iterations(
         self, as_objects: Literal[True]
-    ) -> list[ElementIteration]:
-        ...
+    ) -> list[ElementIteration]: ...
 
     @overload
     def get_dependent_element_iterations(
         self, as_objects: Literal[False] = False
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     @TimeIt.decorator
     def get_dependent_element_iterations(
@@ -1187,15 +1173,13 @@ class ElementIteration(AppAware):
     def get_dependent_elements(
         self,
         as_objects: Literal[True],
-    ) -> list[Element]:
-        ...
+    ) -> list[Element]: ...
 
     @overload
     def get_dependent_elements(
         self,
         as_objects: Literal[False] = False,
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     @TimeIt.decorator
     def get_dependent_elements(
@@ -1220,15 +1204,13 @@ class ElementIteration(AppAware):
     def get_dependent_tasks(
         self,
         as_objects: Literal[True],
-    ) -> list[WorkflowTask]:
-        ...
+    ) -> list[WorkflowTask]: ...
 
     @overload
     def get_dependent_tasks(
         self,
         as_objects: Literal[False] = False,
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     def get_dependent_tasks(
         self,
@@ -1644,8 +1626,7 @@ class Element(AppAware):
         typ: str | None = None,
         as_strings: Literal[False] = False,
         use_task_index: bool = False,
-    ) -> Mapping[str, ParamSource | list[ParamSource]]:
-        ...
+    ) -> Mapping[str, ParamSource | list[ParamSource]]: ...
 
     @overload
     def get_parameter_sources(
@@ -1657,8 +1638,7 @@ class Element(AppAware):
         typ: str | None = None,
         as_strings: Literal[True],
         use_task_index: bool = False,
-    ) -> Mapping[str, str]:
-        ...
+    ) -> Mapping[str, str]: ...
 
     def get_parameter_sources(
         self,
@@ -1716,12 +1696,12 @@ class Element(AppAware):
         )
 
     @overload
-    def get_EAR_dependencies(self, as_objects: Literal[True]) -> list[ElementActionRun]:
-        ...
+    def get_EAR_dependencies(
+        self, as_objects: Literal[True]
+    ) -> list[ElementActionRun]: ...
 
     @overload
-    def get_EAR_dependencies(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_EAR_dependencies(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     @TimeIt.decorator
     def get_EAR_dependencies(
@@ -1735,14 +1715,12 @@ class Element(AppAware):
     @overload
     def get_element_iteration_dependencies(
         self, as_objects: Literal[True]
-    ) -> list[ElementIteration]:
-        ...
+    ) -> list[ElementIteration]: ...
 
     @overload
     def get_element_iteration_dependencies(
         self, as_objects: Literal[False] = False
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     def get_element_iteration_dependencies(
         self, as_objects: bool = False
@@ -1756,12 +1734,12 @@ class Element(AppAware):
         return self.latest_iteration.get_element_iteration_dependencies()
 
     @overload
-    def get_element_dependencies(self, as_objects: Literal[True]) -> list[Element]:
-        ...
+    def get_element_dependencies(self, as_objects: Literal[True]) -> list[Element]: ...
 
     @overload
-    def get_element_dependencies(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_element_dependencies(
+        self, as_objects: Literal[False] = False
+    ) -> set[int]: ...
 
     def get_element_dependencies(
         self, as_objects: bool = False
@@ -1777,12 +1755,10 @@ class Element(AppAware):
         return self.latest_iteration.get_input_dependencies()
 
     @overload
-    def get_task_dependencies(self, as_objects: Literal[True]) -> list[WorkflowTask]:
-        ...
+    def get_task_dependencies(self, as_objects: Literal[True]) -> list[WorkflowTask]: ...
 
     @overload
-    def get_task_dependencies(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_task_dependencies(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     def get_task_dependencies(
         self, as_objects: bool = False
@@ -1797,12 +1773,10 @@ class Element(AppAware):
         return self.latest_iteration.get_task_dependencies()
 
     @overload
-    def get_dependent_EARs(self, as_objects: Literal[True]) -> list[ElementActionRun]:
-        ...
+    def get_dependent_EARs(self, as_objects: Literal[True]) -> list[ElementActionRun]: ...
 
     @overload
-    def get_dependent_EARs(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_dependent_EARs(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     def get_dependent_EARs(
         self, as_objects: bool = False
@@ -1815,14 +1789,12 @@ class Element(AppAware):
     @overload
     def get_dependent_element_iterations(
         self, as_objects: Literal[True]
-    ) -> list[ElementIteration]:
-        ...
+    ) -> list[ElementIteration]: ...
 
     @overload
     def get_dependent_element_iterations(
         self, as_objects: Literal[False] = False
-    ) -> set[int]:
-        ...
+    ) -> set[int]: ...
 
     def get_dependent_element_iterations(
         self, as_objects: bool = False
@@ -1834,12 +1806,10 @@ class Element(AppAware):
         return self.latest_iteration.get_dependent_element_iterations()
 
     @overload
-    def get_dependent_elements(self, as_objects: Literal[True]) -> list[Element]:
-        ...
+    def get_dependent_elements(self, as_objects: Literal[True]) -> list[Element]: ...
 
     @overload
-    def get_dependent_elements(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_dependent_elements(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     def get_dependent_elements(
         self, as_objects: bool = False
@@ -1850,12 +1820,10 @@ class Element(AppAware):
         return self.latest_iteration.get_dependent_elements()
 
     @overload
-    def get_dependent_tasks(self, as_objects: Literal[True]) -> list[WorkflowTask]:
-        ...
+    def get_dependent_tasks(self, as_objects: Literal[True]) -> list[WorkflowTask]: ...
 
     @overload
-    def get_dependent_tasks(self, as_objects: Literal[False] = False) -> set[int]:
-        ...
+    def get_dependent_tasks(self, as_objects: Literal[False] = False) -> set[int]: ...
 
     def get_dependent_tasks(
         self, as_objects: bool = False

hpcflow/sdk/core/enums.py

@@ -1,6 +1,7 @@
 """
 Core enumeration types.
 """
+
 from __future__ import annotations
 from collections.abc import Sequence
 from dataclasses import dataclass

hpcflow/sdk/core/json_like.py

@@ -2,6 +2,7 @@
 Serialization and deserialization mechanism intended to map between a complex
 graph of objects and either JSON or YAML.
 """
+
 from __future__ import annotations
 
 from collections import defaultdict
@@ -70,8 +71,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[int, _JSONDeserState]:
-    ...
+) -> tuple[int, _JSONDeserState]: ...
 
 
 @overload
@@ -80,8 +80,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[float, _JSONDeserState]:
-    ...
+) -> tuple[float, _JSONDeserState]: ...
 
 
 @overload
@@ -90,8 +89,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[str, _JSONDeserState]:
-    ...
+) -> tuple[str, _JSONDeserState]: ...
 
 
 @overload
@@ -100,8 +98,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[None, _JSONDeserState]:
-    ...
+) -> tuple[None, _JSONDeserState]: ...
 
 
 @overload
@@ -110,8 +107,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[str, _JSONDeserState]:
-    ...
+) -> tuple[str, _JSONDeserState]: ...
 
 
 @overload
@@ -120,8 +116,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[Sequence[JSONed], _JSONDeserState]:
-    ...
+) -> tuple[Sequence[JSONed], _JSONDeserState]: ...
 
 
 @overload
@@ -130,8 +125,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[Sequence[JSONed], _JSONDeserState]:
-    ...
+) -> tuple[Sequence[JSONed], _JSONDeserState]: ...
 
 
 @overload
@@ -140,8 +134,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[Sequence[JSONed], _JSONDeserState]:
-    ...
+) -> tuple[Sequence[JSONed], _JSONDeserState]: ...
 
 
 @overload
@@ -150,8 +143,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[Mapping[str, JSONed], _JSONDeserState]:
-    ...
+) -> tuple[Mapping[str, JSONed], _JSONDeserState]: ...
 
 
 @overload
@@ -160,8 +152,7 @@ def to_json_like(
     shared_data: _JSONDeserState = None,
     parent_refs: dict | None = None,
     path: list | None = None,
-) -> tuple[Mapping[str, JSONed], _JSONDeserState]:
-    ...
+) -> tuple[Mapping[str, JSONed], _JSONDeserState]: ...
 
 
 def to_json_like(
@@ -350,13 +341,13 @@ class BaseJSONLike:
     @classmethod
     def _set_class_namespace(
         cls, value: SimpleNamespace, is_dict: Literal[False] = False
-    ) -> None:
-        ...
+    ) -> None: ...
 
     @overload
     @classmethod
-    def _set_class_namespace(cls, value: dict[str, Any], is_dict: Literal[True]) -> None:
-        ...
+    def _set_class_namespace(
+        cls, value: dict[str, Any], is_dict: Literal[True]
+    ) -> None: ...
 
     @classmethod
     def _set_class_namespace(
@@ -393,8 +384,7 @@ class BaseJSONLike:
         cls,
         json_like: str,
         shared_data: Mapping[str, ObjectList[JSONable]] | None = None,
-    ) -> Self | None:
-        ...
+    ) -> Self | None: ...
 
     @overload
     @classmethod
@@ -402,8 +392,7 @@ class BaseJSONLike:
         cls,
         json_like: Sequence[Mapping[str, JSONed]] | Mapping[str, JSONed],
         shared_data: Mapping[str, ObjectList[JSONable]] | None = None,
-    ) -> Self:
-        ...
+    ) -> Self: ...
 
     @overload
     @classmethod
@@ -411,8 +400,7 @@ class BaseJSONLike:
         cls,
         json_like: None,
         shared_data: Mapping[str, ObjectList[JSONable]] | None = None,
-    ) -> None:
-        ...
+    ) -> None: ...
 
     @classmethod
     def from_json_like(

hpcflow/sdk/core/object_list.py

@@ -92,12 +92,10 @@ class ObjectList(JSONLike, Generic[T]):
             return self._objects.__iter__()
 
     @overload
-    def __getitem__(self, key: int) -> T:
-        ...
+    def __getitem__(self, key: int) -> T: ...
 
     @overload
-    def __getitem__(self, key: slice) -> list[T]:
-        ...
+    def __getitem__(self, key: slice) -> list[T]: ...
 
     def __getitem__(self, key: int | slice) -> T | list[T]:
         """Provide list-like index access."""
@@ -177,14 +175,12 @@ class ObjectList(JSONLike, Generic[T]):
     @overload
     def add_object(
         self, obj: T, index: int = -1, *, skip_duplicates: Literal[False] = False
-    ) -> int:
-        ...
+    ) -> int: ...
 
     @overload
     def add_object(
         self, obj: T, index: int = -1, *, skip_duplicates: Literal[True]
-    ) -> int | None:
-        ...
+    ) -> int | None: ...
 
     def add_object(
         self, obj: T, index: int = -1, *, skip_duplicates: bool = False
@@ -360,14 +356,12 @@ class DotAccessObjectList(ObjectList[T], Generic[T]):
     @overload
     def add_object(
         self, obj: T, index: int = -1, *, skip_duplicates: Literal[False] = False
-    ) -> int:
-        ...
+    ) -> int: ...
 
     @overload
     def add_object(
         self, obj: T, index: int = -1, *, skip_duplicates: Literal[True]
-    ) -> int | None:
-        ...
+    ) -> int | None: ...
 
     def add_object(
         self, obj: T, index: int = -1, *, skip_duplicates: bool = False
@@ -424,8 +418,7 @@ class AppDataList(DotAccessObjectList[T], Generic[T]):
         json_like: str,
         shared_data: Mapping[str, ObjectList[JSONable]] | None = None,
         is_hashed: bool = False,
-    ) -> Self | None:
-        ...
+    ) -> Self | None: ...
 
     @overload
     @classmethod
@@ -434,8 +427,7 @@ class AppDataList(DotAccessObjectList[T], Generic[T]):
         json_like: Mapping[str, JSONed] | Sequence[Mapping[str, JSONed]],
         shared_data: Mapping[str, ObjectList[JSONable]] | None = None,
         is_hashed: bool = False,
-    ) -> Self:
-        ...
+    ) -> Self: ...
 
     @overload
     @classmethod
@@ -444,8 +436,7 @@ class AppDataList(DotAccessObjectList[T], Generic[T]):
         json_like: None,
         shared_data: Mapping[str, ObjectList[JSONable]] | None = None,
         is_hashed: bool = False,
-    ) -> None:
-        ...
+    ) -> None: ...
 
     @classmethod
     def from_json_like(
@@ -861,9 +852,11 @@ class ResourceList(ObjectList["ResourceSpec"]):
             return cls([resources])
         else:
             return cls(
-                cls._app.ResourceSpec.from_json_like(cast("dict", res_i))
-                if isinstance(res_i, dict)
-                else cls.__ensure_non_persistent(res_i)
+                (
+                    cls._app.ResourceSpec.from_json_like(cast("dict", res_i))
+                    if isinstance(res_i, dict)
+                    else cls.__ensure_non_persistent(res_i)
+                )
                 for res_i in resources
             )
 

hpcflow/sdk/core/parameters.py

@@ -14,7 +14,7 @@ from typing import TypeVar, cast, TYPE_CHECKING
 from typing_extensions import override, TypeIs
 
 import numpy as np
-from scipy.stats.qmc import LatinHypercube
+from scipy.stats.qmc import LatinHypercube, scale
 from valida import Schema as ValidaSchema  # type: ignore
 
 from hpcflow.sdk.typing import hydrate
@@ -542,11 +542,11 @@ class SchemaInput(SchemaParameter):
                         "value": v["default_value"],
                         "label": k,
                     }
-                json_like["labels"][k][
-                    "default_value"
-                ] = cls._app.InputValue.from_json_like(
-                    json_like=inp_val_kwargs,
-                    shared_data=shared_data,
+                json_like["labels"][k]["default_value"] = (
+                    cls._app.InputValue.from_json_like(
+                        json_like=inp_val_kwargs,
+                        shared_data=shared_data,
+                    )
                 )
 
         return super().from_json_like(json_like, shared_data)
@@ -811,9 +811,9 @@ class ValueSequence(_BaseSequence):
             self._values = None
 
         self._values_group_idx: list[int] | None = None
-        self._values_are_objs: list[
-            bool
-        ] | None = None  # assigned initially on `make_persistent`
+        self._values_are_objs: list[bool] | None = (
+            None  # assigned initially on `make_persistent`
+        )
 
         self._workflow: Workflow | None = None  # assigned in `make_persistent`
         self._element_set: ElementSet | None = None  # assigned by parent `ElementSet`
@@ -1584,6 +1584,7 @@ class MultiPathSequence(_BaseSequence):
         paths: Sequence[str],
         num_samples: int,
         *,
+        bounds: dict[str, Sequence[float]] | None = None,
         scramble: bool = True,
         strength: int = 1,
         optimization: Literal["random-cd", "lloyd"] | None = None,
@@ -1598,13 +1599,24 @@ class MultiPathSequence(_BaseSequence):
             optimization=optimization,
             rng=rng,
         )
+
+        bounds = bounds or {}
+
+        parameter_ranges = np.array([bounds.get(path, [0, 1]) for path in paths]).T
+
+        lower_bound = parameter_ranges[0]
+        upper_bound = parameter_ranges[1]
+
         try:
             sampler = LatinHypercube(**kwargs)
         except TypeError:
             # `rng` was previously (<1.15.0) `seed`:
             kwargs["seed"] = kwargs.pop("rng")
             sampler = LatinHypercube(**kwargs)
-        return sampler.random(n=num_samples).T
+
+        samples = scale(sampler.random(n=num_samples), lower_bound, upper_bound).T
+
+        return samples
 
     @classmethod
     def from_latin_hypercube(
@@ -1612,6 +1624,7 @@ class MultiPathSequence(_BaseSequence):
         paths: Sequence[str],
         num_samples: int,
         *,
+        bounds: dict[str, Sequence[float]] | None = None,
         scramble: bool = True,
         strength: int = 1,
         optimization: Literal["random-cd", "lloyd"] | None = None,
@@ -1629,6 +1642,7 @@ class MultiPathSequence(_BaseSequence):
             "strength": strength,
             "optimization": optimization,
             "rng": rng,
+            "bounds": bounds,
         }
         values = cls._values_from_latin_hypercube(**kwargs)
         assert values is not None