fluxfem 0.1.4__py3-none-any.whl → 0.2.0__py3-none-any.whl

fluxfem/solver/cg.py

@@ -10,6 +10,9 @@ except Exception:  # pragma: no cover
     jsparse = None
 
 from .sparse import FluxSparseMatrix
+from dataclasses import dataclass
+
+from .preconditioner import make_block_jacobi_preconditioner
 
 
 def _matvec_builder(A):
@@ -30,6 +33,117 @@ def _matvec_builder(A):
     return mv
 
 
+def _coo_tuple_from_any(A):
+    if isinstance(A, FluxSparseMatrix):
+        return A.to_coo()
+    if isinstance(A, tuple) and len(A) == 4:
+        return A
+    try:
+        import scipy.sparse as sp  # type: ignore
+    except Exception:  # pragma: no cover
+        sp = None
+    if sp is not None and sp.issparse(A):
+        coo = A.tocoo()
+        return (
+            jnp.asarray(coo.row, dtype=jnp.int32),
+            jnp.asarray(coo.col, dtype=jnp.int32),
+            jnp.asarray(coo.data),
+            int(A.shape[0]),
+        )
+    return None
+
+
+def _to_flux_matrix(A):
+    if isinstance(A, FluxSparseMatrix):
+        return A
+    coo = _coo_tuple_from_any(A)
+    if coo is None:
+        raise ValueError("Unable to build FluxSparseMatrix from A")
+    return FluxSparseMatrix.from_bilinear(coo)
+
+
+def _to_bcoo_matrix(A):
+    if jsparse is None:
+        raise ImportError("jax.experimental.sparse is required for BCOO matvec")
+    if jsparse is not None and isinstance(A, jsparse.BCOO):
+        return A
+    coo = _coo_tuple_from_any(A)
+    if coo is None:
+        raise ValueError("Unable to build BCOO from A")
+    rows, cols, data, n = coo
+    idx = jnp.stack([rows, cols], axis=-1)
+    return jsparse.BCOO((data, idx), shape=(n, n))
+
+
+def _normalize_matvec_matrix(A, matvec: str):
+    if matvec == "flux":
+        return _to_flux_matrix(A)
+    if matvec == "bcoo":
+        return _to_bcoo_matrix(A)
+    if matvec == "dense":
+        return jnp.asarray(A)
+    if matvec == "auto":
+        if jsparse is not None:
+            try:
+                return _to_bcoo_matrix(A)
+            except Exception:
+                return _to_flux_matrix(A)
+        return _to_flux_matrix(A)
+    raise ValueError(f"Unknown matvec backend: {matvec}")
+
+
+@dataclass(frozen=True)
+class CGOperator:
+    """
+    Lightweight CG operator wrapper with a consistent solve() entry point.
+    """
+    A: object
+    preconditioner: object | None = None
+    solver: str = "cg"
+
+    def solve(self, b, *, x0=None, tol: float = 1e-8, maxiter: int | None = None):
+        if self.solver == "cg":
+            return cg_solve(
+                self.A,
+                b,
+                x0=x0,
+                tol=tol,
+                maxiter=maxiter,
+                preconditioner=self.preconditioner,
+            )
+        if self.solver == "cg_jax":
+            return cg_solve_jax(
+                self.A,
+                b,
+                x0=x0,
+                tol=tol,
+                maxiter=maxiter,
+                preconditioner=self.preconditioner,
+            )
+        raise ValueError(f"Unknown CG solver: {self.solver}")
+
+
+def build_cg_operator(
+    A,
+    *,
+    matvec: str = "flux",
+    preconditioner=None,
+    solver: str = "cg",
+    dof_per_node: int | None = None,
+    block_sizes=None,
+) -> CGOperator:
+    """
+    Normalize CG inputs into a single operator interface.
+    """
+    A_mat = _normalize_matvec_matrix(A, matvec)
+    precon = preconditioner
+    if preconditioner == "block_jacobi":
+        precon = make_block_jacobi_preconditioner(
+            A_mat, dof_per_node=dof_per_node, block_sizes=block_sizes
+        )
+    return CGOperator(A=A_mat, preconditioner=precon, solver=solver)
+
+
 def _diag_builder(A, n: int):
     """
     Build diagonal for a Jacobi preconditioner when available.
@@ -92,39 +206,7 @@ def _cg_solve_single(
             return inv_diag * r
 
     elif preconditioner == "block_jacobi":
-        # Expect 3 DOFs per node
-        if n % 3 != 0:
-            raise ValueError("block_jacobi requires n_dofs % 3 == 0")
-        if jsparse is not None and isinstance(A, jsparse.BCOO):
-            rows = A.indices[:, 0]
-            cols = A.indices[:, 1]
-            data = A.data
-        elif isinstance(A, FluxSparseMatrix):
-            rows = jnp.asarray(A.pattern.rows)
-            cols = jnp.asarray(A.pattern.cols)
-            data = jnp.asarray(A.data)
-        else:
-            raise ValueError("block_jacobi requires FluxSparseMatrix or BCOO")
-
-        block_rows = rows // 3
-        block_cols = cols // 3
-        lr = rows % 3
-        lc = cols % 3
-        mask = block_rows == block_cols
-        block_rows = block_rows[mask]
-        lr = lr[mask]
-        lc = lc[mask]
-        data = data[mask]
-        n_block = n // 3
-        blocks = jnp.zeros((n_block, 3, 3), dtype=data.dtype)
-        blocks = blocks.at[block_rows, lr, lc].add(data)
-        blocks = blocks + 1e-12 * jnp.eye(3)[None, :, :]
-        inv_blocks = jnp.linalg.inv(blocks)
-
-        def precon(r):
-            rb = r.reshape((n_block, 3))
-            zb = jnp.einsum("bij,bj->bi", inv_blocks, rb)
-            return zb.reshape((-1,))
+        precon = make_block_jacobi_preconditioner(A)
 
     elif callable(preconditioner):
         precon = preconditioner

fluxfem/solver/dirichlet.py

@@ -1,16 +1,132 @@
 from __future__ import annotations
 
+from dataclasses import dataclass
+from typing import Any
+
 import numpy as np
 import jax.numpy as jnp
 
-from .sparse import FluxSparseMatrix
+try:
+    import scipy.sparse as sp
+except Exception:  # pragma: no cover
+    sp = None
+
+from .sparse import FluxSparseMatrix, coalesce_coo
+
+
+def _normalize_dirichlet_values(dofs, vals):
+    if vals is None:
+        return np.zeros(np.asarray(dofs).shape[0], dtype=float)
+    arr = np.asarray(vals)
+    if arr.ndim == 0:
+        return np.full(np.asarray(dofs).shape[0], float(arr), dtype=float)
+    return arr
 
 
 def _normalize_dirichlet(dofs, vals):
     dir_arr = np.asarray(dofs, dtype=int)
-    if vals is None:
-        return dir_arr, np.zeros(dir_arr.shape[0], dtype=float)
-    return dir_arr, np.asarray(vals, dtype=float)
+    return dir_arr, _normalize_dirichlet_values(dir_arr, vals)
+
+
+@dataclass(frozen=True)
+class CondensedSystem:
+    K: Any
+    F: Any
+    free_dofs: np.ndarray
+    dir_dofs: np.ndarray
+    dir_vals: np.ndarray
+    n_dofs: int
+
+    def expand(self, u_free, *, fill_dirichlet: bool = True):
+        u_full = np.zeros(self.n_dofs, dtype=np.asarray(u_free).dtype)
+        u_full[self.free_dofs] = np.asarray(u_free)
+        if fill_dirichlet and self.dir_dofs.size:
+            u_full[self.dir_dofs] = np.asarray(self.dir_vals, dtype=u_full.dtype)
+        return u_full
+
+
+
+
+@dataclass(frozen=True)
+class DirichletBC:
+    """
+    Dirichlet boundary condition container with helper methods.
+    """
+    dofs: np.ndarray
+    vals: np.ndarray
+
+    def __post_init__(self):
+        dofs, vals = _normalize_dirichlet(self.dofs, self.vals)
+        object.__setattr__(self, "dofs", dofs)
+        object.__setattr__(self, "vals", vals)
+
+    @classmethod
+    def from_boundary_dofs(cls, mesh, predicate, *, values=None, **kwargs):
+        """
+        Build from mesh.boundary_dofs_where predicate.
+
+        kwargs are forwarded to mesh.boundary_dofs_where (e.g. components=..., dof_per_node=...).
+        """
+        dofs = mesh.boundary_dofs_where(predicate, **kwargs)
+        vals = _normalize_dirichlet_values(dofs, values)
+        return cls(dofs, vals)
+
+    @classmethod
+    def from_bbox(cls, mesh, *, mins=None, maxs=None, tol: float = 1e-8, values=None, **kwargs):
+        """
+        Build from the mesh axis-aligned bounding box.
+
+        mins/maxs default to mesh coordinate extrema. kwargs are forwarded to
+        mesh.boundary_dofs_where (e.g. components=..., dof_per_node=...).
+        """
+        from ..mesh.predicate import bbox_predicate
+
+        coords = np.asarray(mesh.coords)
+        if mins is None:
+            mins = coords.min(axis=0)
+        if maxs is None:
+            maxs = coords.max(axis=0)
+        pred = bbox_predicate(mins, maxs, tol=tol)
+        dofs = mesh.boundary_dofs_where(pred, **kwargs)
+        vals = _normalize_dirichlet_values(dofs, values)
+        return cls(dofs, vals)
+
+    def as_tuple(self) -> tuple[np.ndarray, np.ndarray]:
+        return self.dofs, self.vals
+
+    def condense_system(self, A, F, *, check: bool = True) -> CondensedSystem:
+        return condense_dirichlet_system(A, F, self.dofs, self.vals, check=check)
+
+    def enforce_system(self, A, F):
+        return enforce_dirichlet_system(A, F, self.dofs, self.vals)
+
+    def condense_flux(self, A: FluxSparseMatrix, F):
+        """
+        Condense for FluxSparseMatrix and return (K_free, F_free, free_dofs).
+        """
+        condensed = self.condense_system(A, F)
+        free = condensed.free_dofs
+        return restrict_flux_to_free(A, free), condensed.F, free
+
+    def enforce_flux(self, A: FluxSparseMatrix, F):
+        return enforce_dirichlet_fluxsparse(A, F, self.dofs, self.vals)
+
+    def split_matrix(self, A, *, n_total: int | None = None):
+        return split_dirichlet_matrix(A, self.dofs, n_total=n_total)
+
+    def free_dofs(self, n_dofs: int) -> np.ndarray:
+        return free_dofs(n_dofs, self.dofs)
+
+    def expand_solution(self, u_free, *, free=None, n_total: int | None = None):
+        if free is None:
+            if n_total is None:
+                raise ValueError("n_total is required when free is not provided.")
+            free = free_dofs(n_total, self.dofs)
+        if n_total is None:
+            max_free = int(np.max(free)) if len(free) else -1
+            max_dir = int(np.max(self.dofs)) if len(self.dofs) else -1
+            n_total = max(max_free, max_dir) + 1
+        return expand_dirichlet_solution(u_free, free, self.dofs, self.vals, n_total=n_total)
 
 
 def enforce_dirichlet_dense(K, F, dofs, vals):
@@ -33,6 +149,135 @@ def enforce_dirichlet_dense(K, F, dofs, vals):
     return Kc, Fc
 
 
+def enforce_dirichlet_dense_jax(K, F, dofs, vals):
+    """Apply Dirichlet conditions directly to stiffness/load (dense, JAX-friendly)."""
+    import jax.numpy as jnp
+
+    dofs, vals = _normalize_dirichlet(dofs, vals)
+    dofs = jnp.asarray(dofs, dtype=jnp.int32)
+    vals = jnp.asarray(vals, dtype=F.dtype)
+    if F.ndim == 2:
+        F_mod = F - (K[:, dofs] @ vals)[:, None]
+    else:
+        F_mod = F - K[:, dofs] @ vals
+    K_mod = K.at[:, dofs].set(0.0)
+    K_mod = K_mod.at[dofs, :].set(0.0)
+    K_mod = K_mod.at[dofs, dofs].set(1.0)
+    if F.ndim == 2:
+        F_mod = F_mod.at[dofs, :].set(vals[:, None])
+    else:
+        F_mod = F_mod.at[dofs].set(vals)
+    return K_mod, F_mod
+
+
+def enforce_dirichlet_system(A, F, dofs, vals):
+    """
+    Apply Dirichlet conditions directly to stiffness/load.
+    Dispatches based on matrix type (FluxSparseMatrix, JAX dense, or numpy dense).
+    """
+    if isinstance(A, FluxSparseMatrix):
+        return enforce_dirichlet_sparse(A, F, dofs, vals)
+    try:
+        import jax.numpy as jnp
+
+        if isinstance(A, jnp.ndarray):
+            return enforce_dirichlet_dense_jax(A, F, dofs, vals)
+    except Exception:
+        pass
+    return enforce_dirichlet_dense(A, F, dofs, vals)
+
+
+def split_dirichlet_matrix(A, dir_dofs, *, n_total: int | None = None):
+    """
+    Split a matrix into free-free and free-dirichlet blocks.
+
+    Returns (free, dir_dofs, A_ff, A_fd).
+    """
+    dir_dofs, _ = _normalize_dirichlet(dir_dofs, None)
+    if n_total is None:
+        if hasattr(A, "n_dofs"):
+            n_total = int(A.n_dofs)
+        else:
+            arr = np.asarray(A)
+            if arr.ndim != 2 or arr.shape[0] != arr.shape[1]:
+                raise ValueError("A must be square when n_total is not provided.")
+            n_total = int(arr.shape[0])
+    free = free_dofs(n_total, dir_dofs)
+
+    if isinstance(A, FluxSparseMatrix):
+        if sp is None:
+            raise ImportError("scipy is required to split FluxSparseMatrix.")
+        A = A.to_csr()
+
+    if sp is not None and sp.issparse(A):
+        return free, dir_dofs, A[free][:, free], A[free][:, dir_dofs]
+
+    if isinstance(A, jnp.ndarray):
+        free_j = jnp.asarray(free, dtype=jnp.int32)
+        dir_j = jnp.asarray(dir_dofs, dtype=jnp.int32)
+        return free, dir_dofs, A[jnp.ix_(free_j, free_j)], A[jnp.ix_(free_j, dir_j)]
+
+    arr = np.asarray(A)
+    return free, dir_dofs, arr[np.ix_(free, free)], arr[np.ix_(free, dir_dofs)]
+
+
+def condense_dirichlet_system(A, F, dofs, vals, *, check: bool = True) -> CondensedSystem:
+    """
+    Condense Dirichlet DOFs and return a structured system.
+    """
+    dir_arr, dir_vals_arr = _normalize_dirichlet(dofs, vals)
+    F_arr = np.asarray(F)
+    if hasattr(A, "n_dofs"):
+        n_total = int(A.n_dofs)
+    else:
+        A_np = np.asarray(A)
+        if A_np.ndim != 2 or A_np.shape[0] != A_np.shape[1]:
+            raise ValueError("A must be square for Dirichlet condensation.")
+        n_total = int(A_np.shape[0])
+
+    if check:
+        if dir_arr.size != dir_vals_arr.size:
+            raise ValueError("dir_dofs and dir_vals must have the same length")
+        if dir_arr.size:
+            if np.min(dir_arr) < 0 or np.max(dir_arr) >= n_total:
+                raise ValueError("dir_dofs out of bounds")
+            if np.unique(dir_arr).size != dir_arr.size:
+                raise ValueError("dir_dofs contains duplicates")
+
+    mask = np.ones(n_total, dtype=bool)
+    mask[dir_arr] = False
+    free = np.nonzero(mask)[0]
+
+    if isinstance(A, FluxSparseMatrix):
+        K_csr = A.to_csr()
+    elif sp is not None and sp.issparse(A):
+        K_csr = A.tocsr()
+    elif hasattr(A, "to_csr"):
+        K_csr = A.to_csr()
+    else:
+        K_csr = np.asarray(A)
+
+    K_ff = K_csr[free][:, free]
+    F_free = F_arr[free]
+    if dir_arr.size:
+        K_fd = K_csr[free][:, dir_arr]
+        if F_free.ndim == 2:
+            F_free = F_free - (K_fd @ dir_vals_arr)[:, None]
+        else:
+            F_free = F_free - K_fd @ dir_vals_arr
+
+    return CondensedSystem(
+        K=K_ff,
+        F=F_free,
+        free_dofs=free,
+        dir_dofs=dir_arr,
+        dir_vals=dir_vals_arr,
+        n_dofs=n_total,
+    )
+
+
+
+
 def enforce_dirichlet_sparse(A: FluxSparseMatrix, F, dofs, vals):
     """Apply Dirichlet conditions to FluxSparseMatrix + load (CSR)."""
     K_csr = A.to_csr().tolil()
@@ -54,6 +299,11 @@ def enforce_dirichlet_sparse(A: FluxSparseMatrix, F, dofs, vals):
     return K_csr.tocsr(), Fc
 
 
+def enforce_dirichlet_fluxsparse(A: FluxSparseMatrix, F, dofs, vals):
+    """Alias for enforce_dirichlet_sparse for FluxSparseMatrix inputs."""
+    return enforce_dirichlet_sparse(A, F, dofs, vals)
+
+
 def condense_dirichlet_fluxsparse(A: FluxSparseMatrix, F, dofs, vals):
     """
     Condense Dirichlet DOFs for a FluxSparseMatrix.
@@ -76,6 +326,63 @@ def condense_dirichlet_fluxsparse(A: FluxSparseMatrix, F, dofs, vals):
     return K_ff, F_free, free, dir_arr, dir_vals_arr
 
 
+def condense_dirichlet_fluxsparse_coo(
+    A: FluxSparseMatrix,
+    F,
+    dofs,
+    vals,
+    *,
+    coalesce: bool = True,
+):
+    """
+    Condense Dirichlet DOFs for a FluxSparseMatrix using COO filtering.
+    Returns: (K_free, F_free, free_dofs, dir_dofs, dir_vals)
+    """
+    dir_arr, dir_vals_arr = _normalize_dirichlet(dofs, vals)
+    n_total = int(A.n_dofs)
+    mask = np.ones(n_total, dtype=bool)
+    mask[dir_arr] = False
+    free = np.nonzero(mask)[0]
+
+    rows = np.asarray(A.pattern.rows, dtype=np.int64)
+    cols = np.asarray(A.pattern.cols, dtype=np.int64)
+    data = np.asarray(A.data)
+
+    g2l = -np.ones(n_total, dtype=np.int32)
+    g2l[free] = np.arange(free.size, dtype=np.int32)
+    r2 = g2l[rows]
+    c2 = g2l[cols]
+    keep = (r2 >= 0) & (c2 >= 0)
+
+    rows_f = r2[keep]
+    cols_f = c2[keep]
+    data_f = data[keep]
+    if coalesce:
+        rows_f, cols_f, data_f = coalesce_coo(rows_f, cols_f, data_f)
+
+    K_free = FluxSparseMatrix(rows_f, cols_f, data_f, int(free.size))
+
+    F_arr = np.asarray(F, dtype=float)
+    F_free = F_arr[free]
+    if dir_arr.size > 0 and not np.allclose(dir_vals_arr, 0.0):
+        dir_full = np.zeros(n_total, dtype=F_arr.dtype)
+        dir_full[dir_arr] = dir_vals_arr
+        mask_fd = mask[rows] & (~mask[cols])
+        if np.any(mask_fd):
+            rows_fd = rows[mask_fd]
+            cols_fd = cols[mask_fd]
+            data_fd = data[mask_fd]
+            contrib = data_fd * dir_full[cols_fd]
+            delta = np.zeros(n_total, dtype=F_arr.dtype)
+            np.add.at(delta, rows_fd, contrib)
+            if F_free.ndim == 2:
+                F_free = F_free - delta[free][:, None]
+            else:
+                F_free = F_free - delta[free]
+
+    return K_free, jnp.asarray(F_free), free, dir_arr, dir_vals_arr
+
+
 def free_dofs(n_dofs: int, dir_dofs) -> np.ndarray:
     """
     Return free DOF indices given total DOFs and Dirichlet DOFs.
@@ -86,6 +393,29 @@ def free_dofs(n_dofs: int, dir_dofs) -> np.ndarray:
     return np.nonzero(mask)[0]
 
 
+def restrict_flux_to_free(K: FluxSparseMatrix, free: np.ndarray, *, coalesce: bool = True) -> FluxSparseMatrix:
+    """
+    Restrict a FluxSparseMatrix to free DOFs and return the condensed matrix.
+    """
+    free = np.asarray(free, dtype=np.int32)
+    g2l = -np.ones(K.n_dofs, dtype=np.int32)
+    g2l[free] = np.arange(free.size, dtype=np.int32)
+
+    rows = np.asarray(K.pattern.rows)
+    cols = np.asarray(K.pattern.cols)
+    data = np.asarray(K.data)
+    r2 = g2l[rows]
+    c2 = g2l[cols]
+    mask = (r2 >= 0) & (c2 >= 0)
+    K_free = FluxSparseMatrix(
+        jnp.asarray(r2[mask]),
+        jnp.asarray(c2[mask]),
+        jnp.asarray(data[mask]),
+        int(free.size),
+    )
+    return K_free.coalesce() if coalesce else K_free
+
+
 def condense_dirichlet_dense(K, F, dofs, vals):
     """
     Eliminate Dirichlet dofs for dense/CSR matrices and return condensed system.