Fixing parse warning messages - #745
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pyparsing >= 3.3 introduced PyparsingDeprecationWarning, which inherits UserWarning and is therefore displayed by default. Any dependency that still calls the camelCase compatibility API (e.g. older matplotlib mathtext: parseString / parseAll / resetCache) now emits a warning per rendered label, flooding plot output with repeated "'parseString' deprecated - use 'parse_string'" messages. Filter that warning category at import time; guarded so older pyparsing without the class is unaffected. Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
match_orientations now correlates patterns in batches (default batch_size=100) instead of one at a time. The first-match orientation correlograms for a whole batch are computed with a single BLAS/cuBLAS matrix product over the shell dimension followed by one inverse FFT along gamma, which is mathematically identical to the per-pattern computation by linearity of the FFT. Each pattern is then passed to match_single_pattern with its precomputed correlograms, so orientation selection, in-plane refinement, ACOM refinement mode, inversion symmetry, and multiple matches all reuse the existing code path unchanged. - New helpers _calc_polar_image (polar transform extracted verbatim from match_single_pattern; two long-commented historical kernel variants were dropped in the move) and _calc_correlogram_batch (batched correlograms, zone-axis chunked to a memory budget, sieve-only zones in refinement mode, CuPy when CUDA=True). - match_single_pattern accepts a private _precomputed argument used only for the first match; matches beyond the first recompute as before. - New match_orientations arguments: batch_size (None or 1 restores the original per-pattern loop) and batch_max_memory_GB (default 2.0); the batch is clamped automatically for fine orientation plans. Verified batched and per-pattern paths give identical orientation maps (inds, mirror, corr, angles, matrices) on synthetic data for standard plans, refinement plans, num_matches_return=2 with min_angle_between_matches_deg, inversion_symmetry=False, and tiny memory budgets. Where the correlation maximum is exactly degenerate (zone axis on a crystal mirror plane), tie-breaking can differ, but the resulting orientations are identical modulo crystal symmetry. CPU speedup ~3x on a 1596-zone plan; larger gains expected on GPU. Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
smribet
approved these changes
Aug 1, 2026
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