morphopt 4.0.2__tar.gz → 4.0.4__tar.gz

{morphopt-4.0.2 → morphopt-4.0.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: morphopt
-Version: 4.0.2
+Version: 4.0.4
 Summary: A morphing optimization framework using PyTorch and torchfea.
 Requires-Python: >=3.12
 Description-Content-Type: text/markdown
@@ -13,6 +13,7 @@ Requires-Dist: pyvista>=0.47.1
 Requires-Dist: pyvistaqt>=0.11.3
 Requires-Dist: vtk>=9.6.1
 Requires-Dist: gmsh>=4.15.0
+Requires-Dist: cadquery-ocp>=8.0.1.1.0
 Requires-Dist: tabulate>=0.9.0
 Requires-Dist: imageio>=2.37.3
 Requires-Dist: bspmap>=1.0.3

{morphopt-4.0.2 → morphopt-4.0.4}/pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "morphopt"
-version = "4.0.2"
+version = "4.0.4"
 description = "A morphing optimization framework using PyTorch and torchfea."
 readme = "README.md"
 requires-python = ">=3.12"
@@ -14,6 +14,7 @@ dependencies = [
     "pyvistaqt>=0.11.3",
     "vtk>=9.6.1",
     "gmsh>=4.15.0",
+    "cadquery-ocp>=8.0.1.1.0",
     "tabulate>=0.9.0",
     "imageio>=2.37.3",
     "bspmap>=1.0.3",

{morphopt-4.0.2 → morphopt-4.0.4}/src/morphopt/constants.py

@@ -18,7 +18,6 @@ class _Constants:
 
         class HISTORY:
             MAX_NODES = 100
-            MAX_SNAPSHOT_BYTES = 67108864
 
         class OBSERVER:
             OUTPUT_MAXIMUM_BLOCKS = 10000
@@ -29,8 +28,6 @@ class _Constants:
             DEFAULT_INTER_SURFACE_DISTANCE = 2.5
 
         class WIDGETS:
-            MINIMUM_LOAD_STEPS = 1
-            MAXIMUM_LOAD_STEPS = 200
             MAXIMUM_QUICKSTART_OBJECTIVES = 8
             MODEL_SCAN_DEBOUNCE_MS = 500
 
@@ -487,7 +484,7 @@ class _Constants:
                         DEFAULT = 1.0
                         MIN = 0.0
 
-                class FIXED_STL:
+                class MESH_SURFACE:
                     class PATH_STL:
                         DEFAULT = ""
 
@@ -985,6 +982,7 @@ class _Constants:
         class OBJECTIVE:
             TYPE_DISPLACEMENT = "displacement"
             TYPE_CUSTOM_LOSS = "custom_loss"
+            TYPE_WORKSPACE = "workspace"
             DEFAULT_TYPE = TYPE_DISPLACEMENT
             DIRECTION_TARGET = "target"
             DIRECTION_MAXIMIZE = "maximize"

{morphopt-4.0.2 → morphopt-4.0.4}/src/morphopt/optcore/controller.py

@@ -425,10 +425,11 @@ class Controller:
         self.updater.save(
             foldpath=self.path_result + "/log/", iteration=self.history.iteration
         )
-        self.history.save(
+        self.objfun.save(
             foldpath=self.path_result + "/log/", iteration=self.history.iteration
         )
-        self.objfun.save(
+        # Publish a completed iteration only after its model and results exist.
+        self.history.save(
             foldpath=self.path_result + "/log/", iteration=self.history.iteration
         )
 

{morphopt-4.0.2 → morphopt-4.0.4}/src/morphopt/optcore/modelparams/baseparam.py

@@ -67,13 +67,17 @@ class BaseParams(
     def define_interface(self) -> None:
         """Declare the interfaces owned by this parameter collection."""
 
-    def initialize(self, *args, **kwargs) -> None:
-        """Initialize every registered interface."""
+    def initialize_interfaces(self, *args: object, **kwargs: object) -> None:
+        """Declare and initialize interfaces independently of analysis tasks."""
         if not self.interfaces:
             self.define_interface()
         for interface in self.interfaces.values():
             interface.initialize(*args, **kwargs)
 
+    def initialize(self, *args: object, **kwargs: object) -> None:
+        """Initialize every registered interface."""
+        self.initialize_interfaces(*args, **kwargs)
+
     def reinitialize(self, iteration: int, *args, **kwargs) -> None:
         """Re-initialize every registered interface."""
         for interface in self.interfaces.values():

{morphopt-4.0.2 → morphopt-4.0.4}/src/morphopt/optcore/modelparams/feaparams.py

@@ -35,8 +35,8 @@ class FEAParams(BaseParams):
         """
         super().__init__()
 
-        self.fea_steps_params: list[dict[str, list[float]]] = []
-        """load_steps (list): A list to hold the load steps."""
+        self.fea_steps_params: dict[str, dict[str, list[float]]] = {}
+        """Named load cases in registration order."""
 
     def define_steps(self):
         """Configure the amplitude of every load in every load step."""
@@ -47,48 +47,23 @@ class FEAParams(BaseParams):
         if not self.fea_steps_params:
             self.define_steps()
 
-    def set_step_num(self, num_steps: int) -> None:
-        """
-        Set the number of load steps.
-
-        Args:
-            num_steps (int): The number of load steps.
-        """
-        self.fea_steps_params = []
-        for _ in range(num_steps):
-            load_step = {}
-            for name, load_interface in self.interfaces.items():
-                load_step[name] = load_interface._values.copy()
-            self.fea_steps_params.append(load_step)
-
-    def set_step_params(
-        self, step_index: int, load_name: str, values: list[float]
-    ) -> None:
-        """
-        Set the load parameters for a specific load step.
-
-        Args:
-            step_index (int): The index of the load step.
-            load_name (str): The name of the load interface.
-            values (list[float]): The load parameter values.
-        """
-        if step_index < 0 or step_index >= len(self.fea_steps_params):
-            raise IndexError("step_index out of range.")
+    def add_step(self, name: str, values: dict[str, list[float]] | None = None) -> None:
+        """Register a named load case in execution order."""
+        if not isinstance(name, str) or not name.strip() or any(char in name for char in ("/", "\\", "\0")):
+            raise ValueError("A load case requires a nonempty string name.")
+        if name in self.fea_steps_params:
+            raise ValueError(f"Duplicate load case: {name!r}")
+        self.fea_steps_params[name] = {
+            key: interface._values.copy() for key, interface in self.interfaces.items()
+        }
+        for load, amplitudes in (values or {}).items():
+            self.set_step_params(name, load, amplitudes)
+
+    def set_step_params(self, step_name: str, load_name: str, values: list[float]) -> None:
+        """Assign load parameters to a registered named case."""
         if load_name not in self.interfaces:
-            raise KeyError(f"Load interface with name '{load_name}' does not exist.")
-        self.fea_steps_params[step_index][load_name] = values
-
-    def reinitialize(self, iteration, *args, **kwargs):
-        # Sort the load interfaces and load steps parameters by their keys
-        sorted_fea_interfaces = dict(sorted(self.interfaces.items()))
-        sorted_fea_steps_params = [
-            dict(sorted(step.items())) for step in self.fea_steps_params
-        ]
-
-        # Update the dictionaries with the sorted versions
-        self.interfaces = sorted_fea_interfaces
-        self.fea_steps_params = sorted_fea_steps_params
-        super().reinitialize(iteration, *args, **kwargs)
+            raise KeyError(f"Unknown load: {load_name!r}")
+        self.fea_steps_params[step_name][load_name] = list(values)
 
     @property
     def num_load_steps(self) -> int:
@@ -123,15 +98,15 @@ class FEAParams(BaseParams):
 
         return fe
 
-    def process_fea(self, fe: FEAController, step_index: int) -> None:
+    def process_fea(self, fe: FEAController, step_name: str) -> None:
         """
         Process the FEA controller to update load-related information.
 
         Args:
             fe (FEAController): The FEA controller instance.
-            step_index (int): The index of the load step.
+            step_name (str): The registered load-case name.
         """
-        load_step_now = self.fea_steps_params[step_index]
+        load_step_now = self.fea_steps_params[step_name]
         for name, load_interface in self.interfaces.items():
             load_interface._values = load_step_now[name]
             load_interface.apply_fea_value(fe, name)

{morphopt-4.0.2 → morphopt-4.0.4}/src/morphopt/optcore/modelparams/parts/base_part.py

@@ -139,10 +139,9 @@ class BasePart(BaseModelComponent):
         )
 
     def initialize(self, *args: object, **kwargs: object) -> None:
-        """Declare this Part's Instances once before assembly generation."""
+        """Declare Instances when absent, preserving existing declarations."""
         super().initialize(*args, **kwargs)
-        self._instance_definitions.clear()
-        self.define_instance()
+        self._ensure_instance_definitions()
 
     def build_part(
         self, path_result: str | None = None, pools: Pool | None = None

morphopt-4.0.4/src/morphopt/optcore/modelparams/parts/cad_part.py

@@ -0,0 +1,370 @@
+"""Shared CAD and closed-boundary Part construction."""
+
+from __future__ import annotations
+
+import math
+import json
+from collections.abc import Callable, Iterable, Sequence
+from copy import deepcopy
+from dataclasses import dataclass
+from functools import partial
+from pathlib import Path
+from typing import TYPE_CHECKING, Any, ClassVar
+
+import gmsh
+import torchfea
+from torchfea import cad as torchfea_cad
+from torchfea.cad.builder import OCCBuilder
+
+from ....constants import CONSTANT
+from .base_part import BasePart
+
+if TYPE_CHECKING:
+    from multiprocessing.pool import Pool
+
+    from ....shapeopt.boundary_part import BoundaryPart
+
+
+class CADPart(BasePart):
+    """Build a Part from an ordered sequence of TorchFEA CAD operations.
+
+    Subclasses override :meth:`define_operations` and add native TorchFEA CAD
+    objects with :meth:`add_operation`::
+
+        class Housing(morphopt.CADPart):
+            def define_operations(self) -> None:
+                body = torchfea.cad.Box(
+                    id="body", x=0, y=0, z=0, dx=20, dy=12, dz=8
+                )
+                bore = torchfea.cad.Cylinder(
+                    id="bore", x=10, y=6, z=0, dz=8, radius=2
+                )
+                self.add_operation(body)
+                self.add_operation(bore)
+                self.add_operation(
+                    torchfea.cad.Cut(
+                        id="housing", object_id="body", tool_id="bore"
+                    )
+                )
+
+    Boolean and transform operations refer to earlier operations by their
+    IDs. The order in which :meth:`add_operation` is called is the CAD
+    history order. Every OCC face and its nodes are named automatically as
+    ``face_N`` and ``face_N_nodes`` after meshing.
+    """
+
+    cache_part = True
+
+    @dataclass
+    class _Operation(torchfea_cad.CADOperation):
+        """Bridge a Part method into TorchFEA's managed Gmsh execution session."""
+
+        action: Callable[[OCCBuilder], list[tuple[int, int]]]
+        kind: ClassVar[str] = "morphopt_geometry"
+        non_parameter_fields: ClassVar[tuple[str, ...]] = ("action",)
+
+        def apply_occ(self, context: OCCBuilder) -> list[tuple[int, int]]:
+            """Execute the callback and return Gmsh (dimension, entity tag) pairs."""
+            return self.action(context)
+
+    def __init__(
+        self,
+        mesh_size: float = CONSTANT.KERNEL.MESH.DEFAULT_CAD_MESH_SIZE,
+        mesh_order: int = CONSTANT.KERNEL.MESH.DEFAULT_ELEMENT_ORDER,
+        **kwargs: Any,
+    ) -> None:
+        super().__init__(**kwargs)
+        if not math.isfinite(mesh_size) or mesh_size <= 0:
+            raise ValueError("mesh_size must be finite and positive.")
+        if mesh_order not in (1, 2):
+            raise ValueError("mesh_order must be 1 or 2.")
+        self.mesh_size = float(mesh_size)
+        self.mesh_order = mesh_order
+        self.operations: list[torchfea_cad.CADOperation] = []
+        self._face_names: dict[int, str] = {}
+
+    def define_operations(self) -> None:
+        """Override to declare CAD operations in their execution order."""
+
+    def add_operation(self, operation: torchfea_cad.CADOperation) -> CADPart:
+        """Append one native TorchFEA CAD operation to the history."""
+        if not isinstance(operation, torchfea_cad.CADOperation):
+            raise TypeError("operation must be a TorchFEA CADOperation.")
+        self.operations.append(operation)
+        return self
+
+    def initialize(self, *args: object, **kwargs: object) -> None:
+        """Declare Instances and the CAD history once during initialization."""
+        super().initialize(*args, **kwargs)
+        self.operations.clear()
+        self.define_operations()
+
+    def prepare_geometry(
+        self, path_result: str | None = None, pools: Pool | None = None,
+    ) -> list[torchfea_cad.CADOperation]:
+        """Provide the declared CAD operations; subclasses prepare their inputs."""
+        self._face_names.clear()
+        return self.operations
+
+    def assemble_geometry(
+        self, geometry: Sequence[torchfea_cad.CADOperation],
+    ) -> torchfea_cad.CADHistory:
+        """Construct the native CAD history used by the shared mesher."""
+        return torchfea_cad.CADHistory(
+            operations=geometry,
+            mesh_size=self.mesh_size,
+            exterior_surface=self.exterior_surface or "extern",
+        )
+
+    def mesh_geometry(self, geometry: torchfea_cad.CADHistory) -> torchfea.Part:
+        """Use TorchFEA's shared Gmsh mesh extraction for either geometry kernel."""
+        return geometry.mesh(self.mesh_size)
+
+    def define_mesh_sets(self, part: torchfea.Part) -> None:
+        """Map geometric face identities onto the FE mesh."""
+        self._name_geometry_faces(part)
+
+    def _postprocess_part(self, part: torchfea.Part) -> torchfea.Part:
+        """Extend the linear mesh, for example with offset-layer elements."""
+        return part
+
+    def postprocess_mesh(self, part: torchfea.Part) -> torchfea.Part:
+        """Apply element extensions before the shared quadratic conversion."""
+        part = self._postprocess_part(part)
+        if self.mesh_order == 2:
+            element_names = list(part.elems)
+            part.convert_linear_to_quadratic_elements(element_names, element_names)
+        return part
+
+    def build_part(
+        self, path_result: str | None = None, pools: Pool | None = None,
+    ) -> torchfea.Part:
+        """Prepare, assemble, mesh, name and postprocess one Part."""
+        geometry = self.assemble_geometry(self.prepare_geometry(path_result, pools))
+        part = self.mesh_geometry(geometry)
+        self.define_mesh_sets(part)
+        return self.postprocess_mesh(part)
+
+    def _complete_face_names(self, tags: Iterable[int]) -> None:
+        """Assign unused face names while retaining identities from source CAD."""
+        names = set(self._face_names.values())
+        index = 0
+        for tag in sorted(tags):
+            if tag in self._face_names:
+                continue
+            while f"face_{index}" in names:
+                index += 1
+            self._face_names[tag] = f"face_{index}"
+            names.add(f"face_{index}")
+
+    def _name_geometry_faces(self, part: torchfea.Part) -> None:
+        """Name geometric boundary faces using source identities or tag order."""
+        face_names = [
+            name for name in part.surfaces.keys() if name.startswith("gmsh_surface_")
+        ]
+        face_names.sort(key=lambda name: int(name.rsplit("_", 1)[1]))
+
+        tags = [int(name.rsplit("_", 1)[1]) for name in face_names]
+        self._complete_face_names(tags)
+        identities = {tag: self._face_names[tag] for tag in tags}
+        reserved_surfaces = set(identities.values())
+        reserved_nodes = {f"{name}_nodes" for name in reserved_surfaces}
+        surface_conflicts = reserved_surfaces.intersection(part.surfaces.keys())
+        node_conflicts = reserved_nodes.intersection(part.set_nodes)
+        if surface_conflicts or node_conflicts:
+            names = ", ".join(sorted(surface_conflicts | node_conflicts))
+            raise ValueError(
+                f"CAD set names {names} are reserved for OCC faces and nodes."
+            )
+
+        renamed_surfaces = type(part.surfaces)()
+        renamed_names = {
+            old: identities[int(old.rsplit("_", 1)[1])] for old in face_names
+        }
+        for old_name in part.surfaces.keys():
+            renamed_surfaces[renamed_names.get(old_name, old_name)] = part.surfaces[old_name]
+        part.surfaces = renamed_surfaces
+
+        for old_name in face_names:
+            tag = old_name.rsplit("_", 1)[1]
+            old_node_name = f"gmsh_nodes_{tag}"
+            name = identities[int(tag)]
+            nodes = part.set_nodes[old_node_name]
+
+            part.delete_node_set(old_node_name)
+            part.add_node_set(f"{name}_nodes", nodes)
+
+    def get_face_names(self) -> list[str]:
+        """Return geometric face identities in the preview's face order."""
+        history = self.assemble_geometry(self.prepare_geometry())
+        if not history.operations:
+            return []
+        records = history.preview()
+        self._complete_face_names(record["surface_tag"] for record in records)
+        return [self._face_names[record["surface_tag"]] for record in records]
+
+    @staticmethod
+    def _single_solid(
+        operations: Sequence[torchfea_cad.CADOperation],
+    ) -> tuple[int, list[int]]:
+        """Replay operations and return the single volume tag and sorted face tags."""
+        volumes = OCCBuilder(gmsh).replay(operations)
+        if len(volumes) != 1:
+            raise ValueError(
+                "CAD-to-boundary conversion requires one final solid. "
+                "Define disconnected solids as separate CADParts."
+            )
+        volume = volumes[0]
+        faces = sorted(tag for _, tag in gmsh.model.getBoundary(
+            [(3, volume)], oriented=False, recursive=False,
+        ))
+        return volume, faces
+
+    @staticmethod
+    def load_step_boundary(path: str | Path, context: OCCBuilder) -> list[int]:
+        """Import a STEP boundary while retaining its geometric faces."""
+        before = set(gmsh.model.getEntities(2))
+        imported = context.occ.importShapes(str(path))
+        context.occ.synchronize()
+        volumes = [(dim, tag) for dim, tag in imported if dim == 3]
+        if volumes:
+            context.occ.remove(volumes, recursive=False)
+            context.occ.synchronize()
+        tags = sorted(tag for _, tag in set(gmsh.model.getEntities(2)) - before)
+        if not tags:
+            raise ValueError(f"No boundary faces in {path}")
+        return tags
+
+    @staticmethod
+    def load_mesh_boundary(path: str | Path) -> list[int]:
+        """Import a closed STL boundary into the active geometry session."""
+        before = set(gmsh.model.getEntities(2))
+        gmsh.merge(str(path))
+        tags = sorted(tag for _, tag in set(gmsh.model.getEntities(2)) - before)
+        if not tags:
+            raise ValueError(f"No boundary faces in {path}")
+        return tags
+
+    @staticmethod
+    def get_face_signature(tag: int) -> list[float]:
+        """Describe a face by its area, centroid and inertia in local coordinates."""
+        return [
+            float(gmsh.model.occ.getMass(2, tag)),
+            *map(float, gmsh.model.occ.getCenterOfMass(2, tag)),
+            *map(float, gmsh.model.occ.getMatrixOfInertia(2, tag)),
+        ]
+
+    @staticmethod
+    def _inspect_shells(
+        context: OCCBuilder,
+        *,
+        operations: tuple[torchfea_cad.CADOperation, ...],
+        shells: list[tuple[int, ...]],
+    ) -> list[tuple[int, int]]:
+        """Fill shell face indices in exterior-first order inside a CAD session."""
+        volume, faces = CADPart._single_solid(operations)
+        indices = {tag: index for index, tag in enumerate(faces)}
+        loops, shell_faces = context.occ.getSurfaceLoops(volume)
+        ordered = []
+        for loop, tags in zip(loops, shell_faces):
+            solid = context.occ.addVolume([int(loop)])
+            mass = abs(context.occ.getMass(3, solid))
+            context.occ.remove([(3, solid)], recursive=False)
+            ordered.append((mass, tuple(sorted(indices[abs(int(tag))] for tag in tags))))
+        context.occ.synchronize()
+        ordered.sort(key=lambda item: (-item[0], item[1]))
+        shells[:] = [indices for _, indices in ordered]
+        if not shells:
+            raise ValueError("The CAD solid has no closed boundary shell.")
+        return [(3, volume)]
+
+    def split_shells(self) -> tuple[
+        tuple[torchfea_cad.CADOperation, ...],
+        list[tuple[int, ...]],
+    ]:
+        """Return copied operations and exterior-first closed-shell face indices.
+
+        Each shell contains zero-based indices into the source CAD face order.
+        """
+        operations = tuple(deepcopy(self.operations))
+        if not operations:
+            raise ValueError("The CAD history is empty; initialize the CADPart before conversion.")
+        shells: list[tuple[int, ...]] = []
+        action = partial(self._inspect_shells, operations=operations, shells=shells)
+        torchfea_cad.preview_brep([self._Operation("inspect", action)])
+        return operations, shells
+
+    @staticmethod
+    def _build_shell(
+        context: OCCBuilder,
+        *,
+        operations: tuple[torchfea_cad.CADOperation, ...],
+        face_indices: tuple[int, ...],
+        face_map: dict[str, list[float]],
+    ) -> list[tuple[int, int]]:
+        """Reconstruct one shell as a solid for standalone STEP export."""
+        volume, faces = CADPart._single_solid(operations)
+        context.occ.remove([(3, volume)], recursive=False)
+        selected = [faces[index] for index in face_indices]
+        loop = context.occ.addSurfaceLoop(selected)
+        solid = context.occ.addVolume([loop])
+        context.occ.synchronize()
+        unused = [(2, tag) for tag in faces if tag not in selected]
+        if unused:
+            context.occ.remove(unused, recursive=True)
+            context.occ.synchronize()
+        face_map.update({
+            f"face_{index}": CADPart.get_face_signature(tag)
+            for index, tag in zip(face_indices, selected)
+        })
+        return [(3, solid)]
+
+    @staticmethod
+    def export_shell_step(
+        operations: tuple[torchfea_cad.CADOperation, ...],
+        face_indices: tuple[int, ...],
+        path: str | Path,
+    ) -> None:
+        """Export a closed shell and its original face identities as STEP assets."""
+        path = Path(path)
+        face_map: dict[str, list[float]] = {}
+        action = partial(
+            CADPart._build_shell, operations=operations,
+            face_indices=face_indices, face_map=face_map,
+        )
+        torchfea_cad.export_step([CADPart._Operation("shell", action)], str(path))
+        path.with_suffix(".brep.json").write_text(
+            json.dumps({"face_map": face_map}, indent=2), encoding="utf-8",
+        )
+
+    def to_boundary_part(
+        self, asset_directory: str | Path = "morphopt_assets",
+    ) -> BoundaryPart:
+        """Export an initialized single-solid CAD Part as fixed STEP boundaries.
+
+        Write one STEP and face map per shell under asset_directory/part_name.
+        Preserve original face identities, mesh settings and Instance poses;
+        the resulting surfaces retain file references, not source CAD history.
+        """
+        from ....shapeopt.boundary_part import BoundaryPart
+        from ....shapeopt.surfaces.brep_surface import BREPSurface
+
+        operations, shells = self.split_shells()
+        directory = Path(asset_directory) / self.part_name
+        directory.mkdir(parents=True, exist_ok=True)
+        boundary = BoundaryPart(
+            fea_seed_size=self.mesh_size,
+            mesh_order=self.mesh_order,
+            part_name=self.part_name,
+            exterior_surface=self.exterior_surface or "extern",
+        )
+        boundary._name = self.name
+        boundary._instance_definitions = deepcopy(self._instance_definitions)
+        for index, face_indices in enumerate(shells):
+            path = directory / f"surface_{index}.stp"
+            self.export_shell_step(operations, face_indices, path)
+            surface = BREPSurface(path)
+            surface.flip = index != 0
+            boundary.add_surface_interface(surface)
+        boundary.initialize()
+        return boundary