From e24d3131ee32a3e64d3697241612bf830a507b14 Mon Sep 17 00:00:00 2001 From: Huite Bootsma Date: Thu, 11 Jul 2024 17:22:10 +0200 Subject: [PATCH 1/2] Update pixi lockfile, laplace interpolate tol -> (rtol, atol) for cg solve --- docs/changelog.rst | 9 + pixi.lock | 24252 ++++++++++++++-------------- pyproject.toml | 1 + tests/test_interpolate.py | 4 +- xugrid/core/dataarray_accessor.py | 6 +- xugrid/ugrid/interpolate.py | 7 +- 6 files changed, 12338 insertions(+), 11941 deletions(-) diff --git a/docs/changelog.rst b/docs/changelog.rst index 5614e6576..4911726b3 100644 --- a/docs/changelog.rst +++ b/docs/changelog.rst @@ -27,6 +27,15 @@ Added - Included ``edge_node_connectivity`` in :meth:`xugrid.Ugrid2d.from_meshkernel`, so the ordering of edges is consistent with ``meshkernel``. + +Changed +~~~~~~~ + +- :meth:`xugrid.UgridDataArrayAccessor.laplace_interpolate` now uses ``rtol`` + and ``atol`` keywords instead of ``tol``, to match changes in + ``scipy.linalg.sparse.cg``. + +[0.10.0] 2024-05-01 [0.10.0] 2024-05-01 ------------------- diff --git a/pixi.lock b/pixi.lock index 595ca5248..089381cb9 100644 --- a/pixi.lock +++ b/pixi.lock @@ -1,330 +1,327 @@ -version: 4 +version: 5 environments: default: channels: - 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_, info_cg = sparse.linalg.cg(A, b, tol=1.0e-5, maxiter=10) - x_pcg, info_pcg = sparse.linalg.cg(A, b, tol=1.0e-5, maxiter=10, M=M) + _, info_cg = sparse.linalg.cg(A, b, maxiter=10) + x_pcg, info_pcg = sparse.linalg.cg(A, b, maxiter=10, M=M) x_direct = sparse.linalg.spsolve(A, b) assert info_cg != 0 # cg does not converge assert info_pcg == 0 # preconditioned cg does converge diff --git a/xugrid/core/dataarray_accessor.py b/xugrid/core/dataarray_accessor.py index 6e149cbc0..ca506c375 100644 --- a/xugrid/core/dataarray_accessor.py +++ b/xugrid/core/dataarray_accessor.py @@ -573,7 +573,8 @@ def laplace_interpolate( direct_solve: bool = False, delta=0.0, relax=0.0, - tol: float = 1.0e-5, + rtol=1.0e-5, + atol=1.0e-5, maxiter: int = 500, ): """ @@ -631,7 +632,8 @@ def laplace_interpolate( direct_solve=direct_solve, delta=delta, relax=relax, - tol=tol, + rtol=rtol, + atol=atol, maxiter=maxiter, ) da_filled = da.copy(data=filled) diff --git a/xugrid/ugrid/interpolate.py b/xugrid/ugrid/interpolate.py index 04ed1a3b6..f22dbdd07 100644 --- a/xugrid/ugrid/interpolate.py +++ b/xugrid/ugrid/interpolate.py @@ -207,7 +207,8 @@ def laplace_interpolate( direct_solve: bool = False, delta=0.0, relax=0.0, - tol: float = 1.0e-5, + atol: float = 0.0, + rtol: float = 1.0e-5, maxiter: int = 500, ): """ @@ -235,6 +236,8 @@ def laplace_interpolate( ILU0 preconditioner non-diagonally dominant correction. relax: float, default 0.0 Modified ILU0 preconditioner relaxation factor. + atol: float, optional, default 0.0 + Convergence tolerance for ``scipy.sparse.linalg.cg``. tol: float, optional, default 1.0e-5. Convergence tolerance for ``scipy.sparse.linalg.cg``. maxiter: int, default 500. @@ -301,7 +304,7 @@ def laplace_interpolate( # Create preconditioner M M = ILU0Preconditioner.from_csr_matrix(A, delta=delta, relax=relax) # Call conjugate gradient solver - x, info = sparse.linalg.cg(A, rhs, tol=tol, maxiter=maxiter, M=M, atol="legacy") + x, info = sparse.linalg.cg(A, rhs, rtol=rtol, atol=atol, maxiter=maxiter, M=M) if info < 0: raise ValueError("scipy.sparse.linalg.cg: illegal input or breakdown") elif info > 0: From cf7fc71b1de4a8a755f35102f5a95e7d6d31f8ea Mon Sep 17 00:00:00 2001 From: Huite Bootsma Date: Thu, 11 Jul 2024 17:30:39 +0200 Subject: [PATCH 2/2] Separate atol, docstring --- xugrid/core/dataarray_accessor.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/xugrid/core/dataarray_accessor.py b/xugrid/core/dataarray_accessor.py index ca506c375..0c259821b 100644 --- a/xugrid/core/dataarray_accessor.py +++ b/xugrid/core/dataarray_accessor.py @@ -574,7 +574,7 @@ def laplace_interpolate( delta=0.0, relax=0.0, rtol=1.0e-5, - atol=1.0e-5, + atol=0.0, maxiter: int = 500, ): """ @@ -607,7 +607,9 @@ def laplace_interpolate( ILU0 preconditioner non-diagonally dominant correction. relax: float, default 0.0. Modified ILU0 preconditioner relaxation factor. - tol: float, optional, default 1.0e-5. + rtol: float, optional, default 1.0e-5. + Convergence tolerance for ``scipy.sparse.linalg.cg``. + atol: float, optional, default 0.0. Convergence tolerance for ``scipy.sparse.linalg.cg``. maxiter: int, default 500. Maximum number of iterations for ``scipy.sparse.linalg.cg``.