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

fluxfem/solver/block_matrix.py

@@ -0,0 +1,132 @@
+from __future__ import annotations
+
+from typing import Mapping, Sequence
+
+import numpy as np
+
+try:
+    import scipy.sparse as sp
+except Exception:  # pragma: no cover
+    sp = None
+
+from .block_system import split_block_matrix
+from .sparse import FluxSparseMatrix
+
+
+def diag(**blocks):
+    return dict(blocks)
+
+
+def _infer_sizes_from_diag(diag_blocks):
+    sizes = {}
+    for name, blk in diag_blocks.items():
+        if isinstance(blk, FluxSparseMatrix):
+            sizes[name] = int(blk.n_dofs)
+        elif sp is not None and sp.issparse(blk):
+            shape = blk.shape
+            if shape[0] != shape[1]:
+                raise ValueError(f"diag block {name} must be square, got {shape}")
+            sizes[name] = int(shape[0])
+        else:
+            arr = np.asarray(blk)
+            if arr.ndim != 2 or arr.shape[0] != arr.shape[1]:
+                raise ValueError(f"diag block {name} must be square, got {arr.shape}")
+            sizes[name] = int(arr.shape[0])
+    return sizes
+
+
+def _add_blocks(a, b):
+    if a is None:
+        return b
+    if b is None:
+        return a
+    if isinstance(a, FluxSparseMatrix):
+        a = a.to_csr()
+    if isinstance(b, FluxSparseMatrix):
+        b = b.to_csr()
+    if sp is not None and sp.issparse(a):
+        if sp.issparse(b):
+            return a + b
+        return a + sp.csr_matrix(np.asarray(b))
+    if sp is not None and sp.issparse(b):
+        return sp.csr_matrix(np.asarray(a)) + b
+    return np.asarray(a) + np.asarray(b)
+
+
+def _transpose_block(block, rule: str):
+    if isinstance(block, FluxSparseMatrix):
+        if sp is None:
+            raise ImportError("scipy is required to transpose FluxSparseMatrix blocks.")
+        block = block.to_csr()
+    if sp is not None and sp.issparse(block):
+        out = block.T
+    else:
+        out = np.asarray(block).T
+    if rule == "H":
+        return out.conjugate()
+    return out
+
+
+def make(
+    *,
+    diag: Mapping[str, object] | Sequence[object],
+    rel: Mapping[tuple[str, str], object] | None = None,
+    add_contiguous: object | None = None,
+    sizes: Mapping[str, int] | None = None,
+    symmetric: bool = False,
+    transpose_rule: str = "T",
+):
+    """
+    Build a blocks dict from diagonal blocks, optional relations, and a full matrix.
+    """
+    if isinstance(diag, Mapping):
+        diag_map = dict(diag)
+    else:
+        diag_seq = list(diag)
+        if sizes is None:
+            diag_map = dict(zip(range(len(diag_seq)), diag_seq))
+        else:
+            order = tuple(sizes.keys())
+            if len(diag_seq) != len(order):
+                raise ValueError("diag sequence length must match sizes")
+            diag_map = dict(zip(order, diag_seq))
+
+    if sizes is None:
+        sizes = _infer_sizes_from_diag(diag_map)
+    order = tuple(sizes.keys())
+
+    if add_contiguous is None:
+        blocks = {name: {} for name in order}
+    else:
+        blocks = split_block_matrix(add_contiguous, sizes=sizes)
+
+    for name, blk in diag_map.items():
+        if name not in sizes:
+            raise KeyError(f"Unknown field '{name}' in diag")
+        blocks.setdefault(name, {})
+        blocks[name][name] = _add_blocks(blocks[name].get(name), blk)
+
+    if transpose_rule not in {"T", "H", "none"}:
+        raise ValueError("transpose_rule must be one of: T, H, none")
+
+    if rel is not None:
+        for (name_i, name_j), blk in rel.items():
+            if name_i not in sizes or name_j not in sizes:
+                raise KeyError(f"Unknown field in rel: {(name_i, name_j)}")
+            blocks.setdefault(name_i, {})
+            blocks[name_i][name_j] = _add_blocks(blocks[name_i].get(name_j), blk)
+            if symmetric and name_i != name_j:
+                if transpose_rule == "none":
+                    blocks.setdefault(name_j, {})
+                    blocks[name_j][name_i] = _add_blocks(blocks[name_j].get(name_i), blk)
+                else:
+                    blocks.setdefault(name_j, {})
+                    blocks[name_j][name_i] = _add_blocks(
+                        blocks[name_j].get(name_i),
+                        _transpose_block(blk, transpose_rule),
+                    )
+
+    return blocks
+
+
+__all__ = ["diag", "make"]

fluxfem/solver/block_system.py

@@ -0,0 +1,454 @@
+from __future__ import annotations
+
+from dataclasses import dataclass
+from typing import Mapping, Sequence
+
+import numpy as np
+
+try:
+    import scipy.sparse as sp
+except Exception:  # pragma: no cover
+    sp = None
+
+from .dirichlet import DirichletBC, free_dofs
+from .sparse import FluxSparseMatrix
+
+
+@dataclass(frozen=True)
+class BlockSystem:
+    K: object
+    F: np.ndarray
+    free_dofs: np.ndarray
+    dirichlet: DirichletBC
+    field_order: tuple[str, ...]
+    field_slices: dict[str, slice]
+
+    def expand(self, u_free):
+        return self.dirichlet.expand_solution(u_free, free=self.free_dofs, n_total=self.F.shape[0])
+
+    def split(self, u_full: np.ndarray) -> dict[str, np.ndarray]:
+        return {name: np.asarray(u_full)[self.field_slices[name]] for name in self.field_order}
+
+    def join(self, fields: Mapping[str, np.ndarray]) -> np.ndarray:
+        parts = []
+        for name in self.field_order:
+            if name not in fields:
+                raise KeyError(f"Missing field '{name}' in join.")
+            parts.append(np.asarray(fields[name]))
+        return np.concatenate(parts, axis=0)
+
+
+def _build_field_slices(order, sizes):
+    offsets = {}
+    slices = {}
+    offset = 0
+    for name in order:
+        size = int(sizes[name])
+        offsets[name] = offset
+        slices[name] = slice(offset, offset + size)
+        offset += size
+    return offsets, slices, offset
+
+
+def split_block_matrix(matrix, *, sizes: Mapping[str, int], order: Sequence[str] | None = None):
+    """
+    Split a block matrix into a dict-of-dicts by field order and sizes.
+    """
+    field_order = tuple(order) if order is not None else tuple(sizes.keys())
+    for name in field_order:
+        if name not in sizes:
+            raise KeyError(f"Missing size for field '{name}'")
+    offsets, _, n_total = _build_field_slices(field_order, sizes)
+
+    if isinstance(matrix, FluxSparseMatrix):
+        if sp is None:
+            raise ImportError("scipy is required to split FluxSparseMatrix blocks.")
+        mat = matrix.to_csr()
+    elif sp is not None and sp.issparse(matrix):
+        mat = matrix.tocsr()
+    else:
+        mat = np.asarray(matrix)
+
+    if mat.shape != (n_total, n_total):
+        raise ValueError(f"matrix has shape {mat.shape}, expected {(n_total, n_total)}")
+
+    blocks: dict[str, dict[str, object]] = {}
+    for name_i in field_order:
+        row = {}
+        i0 = offsets[name_i]
+        i1 = i0 + int(sizes[name_i])
+        for name_j in field_order:
+            j0 = offsets[name_j]
+            j1 = j0 + int(sizes[name_j])
+            row[name_j] = mat[i0:i1, j0:j1]
+        blocks[name_i] = row
+    return blocks
+
+
+def _infer_format(blocks, fmt):
+    if fmt != "auto":
+        return fmt
+    for row in blocks.values():
+        for blk in row.values():
+            if isinstance(blk, FluxSparseMatrix):
+                return "flux"
+            if sp is not None and sp.issparse(blk):
+                return "csr"
+    return "dense"
+
+
+def _infer_sizes_from_diag_seq(diag_seq):
+    sizes = {}
+    for idx, blk in enumerate(diag_seq):
+        if isinstance(blk, FluxSparseMatrix):
+            sizes[idx] = int(blk.n_dofs)
+        elif sp is not None and sp.issparse(blk):
+            shape = blk.shape
+            if shape[0] != shape[1]:
+                raise ValueError(f"diag block {idx} must be square, got {shape}")
+            sizes[idx] = int(shape[0])
+        else:
+            arr = np.asarray(blk)
+            if arr.ndim != 2 or arr.shape[0] != arr.shape[1]:
+                raise ValueError(f"diag block {idx} must be square, got {arr.shape}")
+            sizes[idx] = int(arr.shape[0])
+    return sizes
+
+
+def _coerce_rhs(rhs, order, sizes):
+    if rhs is None:
+        return np.zeros(sum(int(sizes[n]) for n in order), dtype=float)
+    if isinstance(rhs, Mapping):
+        parts = [np.asarray(rhs.get(name, np.zeros(int(sizes[name]), dtype=float))) for name in order]
+        for name, part in zip(order, parts):
+            if part.shape != (int(sizes[name]),):
+                raise ValueError(f"rhs[{name}] has shape {part.shape}, expected {(int(sizes[name]),)}")
+        return np.concatenate(parts, axis=0)
+    if hasattr(rhs, "shape") and not isinstance(rhs, (list, tuple)):
+        rhs_arr = np.asarray(rhs)
+        if rhs_arr.shape != (sum(int(sizes[n]) for n in order),):
+            raise ValueError("rhs vector has unexpected shape")
+        return rhs_arr
+    parts = list(rhs)
+    if len(parts) != len(order):
+        raise ValueError("rhs sequence length must match number of fields")
+    parts = [np.asarray(p) for p in parts]
+    for name, part in zip(order, parts):
+        if part.shape != (int(sizes[name]),):
+            raise ValueError(f"rhs for {name} has shape {part.shape}, expected {(int(sizes[name]),)}")
+    return np.concatenate(parts, axis=0)
+
+
+def _build_dirichlet_from_fields(fields, offsets, *, merge: str):
+    if merge not in {"check_equal", "error", "first", "last"}:
+        raise ValueError("merge must be one of: check_equal, error, first, last")
+    dof_map: dict[int, float] = {}
+    for name, spec in fields.items():
+        if name not in offsets:
+            raise KeyError(f"Unknown field '{name}' in constraints")
+        offset = int(offsets[name])
+        if isinstance(spec, DirichletBC):
+            dofs = spec.dofs
+            vals = spec.vals
+        elif isinstance(spec, tuple) and len(spec) == 2:
+            dofs, vals = spec
+        else:
+            dofs, vals = spec, None
+        bc = DirichletBC(dofs, vals)
+        g_dofs = np.asarray(bc.dofs, dtype=int) + offset
+        g_vals = np.asarray(bc.vals, dtype=float)
+        for d, v in zip(g_dofs, g_vals):
+            if d in dof_map:
+                if merge == "error":
+                    raise ValueError(f"Duplicate Dirichlet DOF {d} in constraints")
+                if merge == "check_equal":
+                    if not np.isclose(dof_map[d], v):
+                        raise ValueError(f"Conflicting Dirichlet value for DOF {d}")
+                if merge == "first":
+                    continue
+            dof_map[d] = float(v)
+    if not dof_map:
+        return DirichletBC(np.array([], dtype=int), np.array([], dtype=float))
+    dofs_sorted = np.array(sorted(dof_map.keys()), dtype=int)
+    vals_sorted = np.array([dof_map[d] for d in dofs_sorted], dtype=float)
+    return DirichletBC(dofs_sorted, vals_sorted)
+
+
+def _build_dirichlet_from_sequence(seq, order, offsets, *, merge: str):
+    if merge not in {"check_equal", "error", "first", "last"}:
+        raise ValueError("merge must be one of: check_equal, error, first, last")
+    if len(seq) != len(order):
+        raise ValueError("constraints sequence length must match order")
+    dof_map: dict[int, float] = {}
+    for name, spec in zip(order, seq):
+        if spec is None:
+            continue
+        offset = int(offsets[name])
+        if isinstance(spec, DirichletBC):
+            dofs = spec.dofs
+            vals = spec.vals
+        elif isinstance(spec, tuple) and len(spec) == 2:
+            dofs, vals = spec
+        else:
+            dofs, vals = spec, None
+        bc = DirichletBC(dofs, vals)
+        g_dofs = np.asarray(bc.dofs, dtype=int) + offset
+        g_vals = np.asarray(bc.vals, dtype=float)
+        for d, v in zip(g_dofs, g_vals):
+            if d in dof_map:
+                if merge == "error":
+                    raise ValueError(f"Duplicate Dirichlet DOF {d} in constraints")
+                if merge == "check_equal":
+                    if not np.isclose(dof_map[d], v):
+                        raise ValueError(f"Conflicting Dirichlet value for DOF {d}")
+                if merge == "first":
+                    continue
+            dof_map[d] = float(v)
+    if not dof_map:
+        return DirichletBC(np.array([], dtype=int), np.array([], dtype=float))
+    dofs_sorted = np.array(sorted(dof_map.keys()), dtype=int)
+    vals_sorted = np.array([dof_map[d] for d in dofs_sorted], dtype=float)
+    return DirichletBC(dofs_sorted, vals_sorted)
+
+
+def _transpose_block(block, rule: str):
+    if isinstance(block, FluxSparseMatrix):
+        if sp is None:
+            raise ImportError("scipy is required to transpose FluxSparseMatrix blocks.")
+        block = block.to_csr()
+    if sp is not None and sp.issparse(block):
+        out = block.T
+    else:
+        out = np.asarray(block).T
+    if rule == "H":
+        return out.conjugate()
+    return out
+
+
+def _add_blocks(a, b):
+    if a is None:
+        return b
+    if b is None:
+        return a
+    if isinstance(a, FluxSparseMatrix):
+        a = a.to_csr()
+    if isinstance(b, FluxSparseMatrix):
+        b = b.to_csr()
+    if sp is not None and sp.issparse(a):
+        if sp.issparse(b):
+            return a + b
+        return a + sp.csr_matrix(np.asarray(b))
+    if sp is not None and sp.issparse(b):
+        return sp.csr_matrix(np.asarray(a)) + b
+    return np.asarray(a) + np.asarray(b)
+
+
+def _blocks_from_diag_rel(
+    *,
+    diag: Mapping[str, object] | Sequence[object],
+    sizes: Mapping[str, int],
+    order: Sequence[str],
+    rel: Mapping[tuple[str, str], object] | None = None,
+    add_contiguous: object | None = None,
+    symmetric: bool = False,
+    transpose_rule: str = "T",
+) -> Mapping[str, Mapping[str, object]]:
+    if isinstance(diag, Mapping):
+        diag_map = dict(diag)
+    else:
+        diag_seq = list(diag)
+        if len(diag_seq) != len(order):
+            raise ValueError("diag sequence length must match order")
+        diag_map = dict(zip(order, diag_seq))
+
+    if add_contiguous is None:
+        blocks = {name: {} for name in order}
+    else:
+        blocks = split_block_matrix(add_contiguous, sizes=sizes, order=order)
+
+    if transpose_rule not in {"T", "H", "none"}:
+        raise ValueError("transpose_rule must be one of: T, H, none")
+
+    for name, blk in diag_map.items():
+        if name not in sizes:
+            raise KeyError(f"Unknown field '{name}' in diag")
+        blocks.setdefault(name, {})
+        blocks[name][name] = _add_blocks(blocks[name].get(name), blk)
+
+    if rel is not None:
+        for (name_i, name_j), blk in rel.items():
+            if name_i not in sizes or name_j not in sizes:
+                raise KeyError(f"Unknown field in rel: {(name_i, name_j)}")
+            blocks.setdefault(name_i, {})
+            blocks[name_i][name_j] = _add_blocks(blocks[name_i].get(name_j), blk)
+            if symmetric and name_i != name_j:
+                blocks.setdefault(name_j, {})
+                if transpose_rule == "none":
+                    blocks[name_j][name_i] = _add_blocks(blocks[name_j].get(name_i), blk)
+                else:
+                    blocks[name_j][name_i] = _add_blocks(
+                        blocks[name_j].get(name_i),
+                        _transpose_block(blk, transpose_rule),
+                    )
+
+    return blocks
+
+
+def build_block_system(
+    *,
+    diag: Mapping[str, object] | Sequence[object],
+    sizes: Mapping[str, int] | None = None,
+    rel: Mapping[tuple[str, str], object] | None = None,
+    add_contiguous: object | None = None,
+    rhs: Mapping[str, object] | Sequence[object] | np.ndarray | None = None,
+    constraints=None,
+    merge: str = "check_equal",
+    format: str = "auto",
+    symmetric: bool = False,
+    transpose_rule: str = "T",
+) -> BlockSystem:
+    """
+    Build a block system from diagonal blocks, optional relations, and constraints.
+
+    format:
+      - "auto": FluxSparseMatrix if any block is FluxSparseMatrix, CSR if any block is sparse, else dense
+      - "flux": return FluxSparseMatrix
+      - "csr": return scipy.sparse CSR
+      - "dense": return numpy ndarray
+    """
+    if sizes is None:
+        if isinstance(diag, Mapping):
+            sizes = _infer_sizes_from_diag(diag)
+            field_order = tuple(sizes.keys())
+        else:
+            sizes = _infer_sizes_from_diag_seq(diag)
+            field_order = tuple(range(len(diag)))
+    else:
+        field_order = tuple(sizes.keys())
+    offsets, field_slices, n_total = _build_field_slices(field_order, sizes)
+    prefer_flux = False
+    if format == "auto":
+        if isinstance(add_contiguous, FluxSparseMatrix):
+            prefer_flux = True
+        if isinstance(diag, Mapping):
+            prefer_flux = any(isinstance(blk, FluxSparseMatrix) for blk in diag.values())
+        else:
+            prefer_flux = any(isinstance(blk, FluxSparseMatrix) for blk in diag)
+    blocks = _blocks_from_diag_rel(
+        diag=diag,
+        rel=rel,
+        add_contiguous=add_contiguous,
+        sizes=sizes,
+        order=field_order,
+        symmetric=symmetric,
+        transpose_rule=transpose_rule,
+    )
+    use_format = "flux" if prefer_flux else _infer_format(blocks, format)
+
+    def _block_shape(name_i, name_j):
+        return (int(sizes[name_i]), int(sizes[name_j]))
+
+    if use_format == "flux":
+        rows_list = []
+        cols_list = []
+        data_list = []
+        for name_i in field_order:
+            row_blocks = blocks.get(name_i, {})
+            for name_j in field_order:
+                blk = row_blocks.get(name_j)
+                if blk is None:
+                    continue
+                shape = _block_shape(name_i, name_j)
+                if isinstance(blk, FluxSparseMatrix):
+                    if shape[0] != shape[1] or int(blk.n_dofs) != shape[0]:
+                        raise ValueError(f"Block {name_i},{name_j} has incompatible FluxSparseMatrix size")
+                    r = np.asarray(blk.pattern.rows, dtype=np.int64)
+                    c = np.asarray(blk.pattern.cols, dtype=np.int64)
+                    d = np.asarray(blk.data)
+                elif sp is not None and sp.issparse(blk):
+                    coo = blk.tocoo()
+                    r = np.asarray(coo.row, dtype=np.int64)
+                    c = np.asarray(coo.col, dtype=np.int64)
+                    d = np.asarray(coo.data)
+                    if coo.shape != shape:
+                        raise ValueError(f"Block {name_i},{name_j} has shape {coo.shape}, expected {shape}")
+                else:
+                    arr = np.asarray(blk)
+                    if arr.shape != shape:
+                        raise ValueError(f"Block {name_i},{name_j} has shape {arr.shape}, expected {shape}")
+                    r, c = np.nonzero(arr)
+                    d = arr[r, c]
+                if r.size:
+                    rows_list.append(r + offsets[name_i])
+                    cols_list.append(c + offsets[name_j])
+                    data_list.append(d)
+        rows = np.concatenate(rows_list) if rows_list else np.asarray([], dtype=np.int32)
+        cols = np.concatenate(cols_list) if cols_list else np.asarray([], dtype=np.int32)
+        data = np.concatenate(data_list) if data_list else np.asarray([], dtype=float)
+        K = FluxSparseMatrix(rows, cols, data, n_total)
+    else:
+        if use_format == "csr" and sp is None:
+            raise ImportError("scipy is required for CSR block systems.")
+        block_rows = []
+        for name_i in field_order:
+            row = []
+            row_blocks = blocks.get(name_i, {})
+            for name_j in field_order:
+                blk = row_blocks.get(name_j)
+                shape = _block_shape(name_i, name_j)
+                if blk is None:
+                    if use_format == "csr":
+                        row.append(sp.csr_matrix(shape))
+                    else:
+                        row.append(np.zeros(shape, dtype=float))
+                    continue
+                if isinstance(blk, FluxSparseMatrix):
+                    if sp is None:
+                        raise ImportError("scipy is required to assemble sparse block systems.")
+                    blk = blk.to_csr()
+                if sp is not None and sp.issparse(blk):
+                    blk = blk.tocsr()
+                    if blk.shape != shape:
+                        raise ValueError(f"Block {name_i},{name_j} has shape {blk.shape}, expected {shape}")
+                    row.append(blk)
+                else:
+                    arr = np.asarray(blk)
+                    if arr.shape != shape:
+                        raise ValueError(f"Block {name_i},{name_j} has shape {arr.shape}, expected {shape}")
+                    if use_format == "csr":
+                        row.append(sp.csr_matrix(arr))
+                    else:
+                        row.append(arr)
+            block_rows.append(row)
+        if use_format == "csr":
+            K = sp.bmat(block_rows, format="csr")
+        else:
+            K = np.block(block_rows)
+
+    F = _coerce_rhs(rhs, field_order, sizes)
+
+    if constraints is None:
+        bc = DirichletBC(np.array([], dtype=int), np.array([], dtype=float))
+        free = free_dofs(n_total, bc.dofs)
+        return BlockSystem(K=K, F=F, free_dofs=free, dirichlet=bc, field_order=field_order, field_slices=field_slices)
+
+    if isinstance(constraints, DirichletBC):
+        bc = constraints
+    elif isinstance(constraints, tuple) and len(constraints) == 2:
+        bc = DirichletBC(constraints[0], constraints[1])
+    elif isinstance(constraints, Mapping):
+        bc = _build_dirichlet_from_fields(constraints, offsets, merge=merge)
+    elif isinstance(constraints, Sequence) and not isinstance(constraints, (str, bytes)):
+        bc = _build_dirichlet_from_sequence(constraints, field_order, offsets, merge=merge)
+    else:
+        raise ValueError("constraints must be DirichletBC, (dofs, vals), or mapping")
+
+    system = bc.condense_system(K, F)
+    return BlockSystem(
+        K=system.K,
+        F=np.asarray(system.F),
+        free_dofs=system.free_dofs,
+        dirichlet=bc,
+        field_order=field_order,
+        field_slices=field_slices,
+    )