6 Commits

Include renames

Author	SHA1	Message	Date
leonarski_fandClaude Opus 5	aa5a31b345	grid scan: an unstated beam is reported as the grid step, not as zero ... A raster is stepped at about the beam size, so the step is the best proxy there is when neither --beam-size nor the file's incident_beam_size says anything. Zero is the worse answer: the reported crystal extents still contain a whole beam, and a zero tells a consumer deconvolving them that they are already exact. The substitution is in AnalyzeGridScan, so it holds for the broker and for rugnux alike. The extents themselves do not move - they are measured either way, and the test pins that. BEAM_SIZE_SOURCE in the raster report gains GRID_STEP, so a reader can still tell a measured beam from a stood-in one, which matters because removing an anisotropic beam is a covariance subtraction and a wrong one rotates the crystal axis. The comment at the rugnux call site had argued for the old behaviour in as many words; it now describes what the code does. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-08 09:11:26 +02:00
leonarski_fandClaude Opus 5	5fe8a967cd	grid scan: the five lanes become one, with a single home for the crystal type and its settings ... Integration of the per-image detection scores, the analysis mode, the grid-scan crystal search, its rugnux entry point and the viewer display. GridScanCrystal/GridScanResult had two definitions - a placeholder in common/ and the real one in image_analysis/ - which is a redefinition in any translation unit reaching both, and tests/RasterReportTest.cpp reaches both. Unified into common/GridScanResult.h, beside ScanResult where the data type belongs, leaving the algorithm in image_analysis/. Same reason UnitCell lives in common while the indexers do not. GridScanAnalysisSettings is now the only home for the search parameters, replacing the loose GridScanAnalysisParameters struct the raster lane carried while the class did not yet exist. Three values changed with the move: - decisive_single_cell_score 0.9 -> 0.6. 0.9 drops a real two-cell crystal peaking at 0.751 and costs a loop on the labelled corpus. 0.6 is the middle of a measured gap: over 67 rasters no water raster peaks above 0.15 and no ice raster above 0.50, while the weakest confirmed-protein raster peaks at 0.67. - max_crystals is std::optional, unset meaning no cap. 0 as a sentinel for "unlimited" reads as "find nothing", which is the opposite of what it did. - grow_score_threshold was missing from the class entirely. The viewer reads protein_score, ice_score and the crystal list from the reader rather than a local stub, and asks the broker for ice_ring_ratio rather than the retired ice_ring_score spelling. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-08 07:59:04 +02:00
leonarski_fandClaude Opus 5	273591af11	grid scan: a crystal is grown out of its seeds, so one weak grid point no longer splits it ... A crystal in the corpus was reported as two because the grid point joining its halves scored 0.498 - two thousandths under the threshold. That is an artefact of putting a hard edge through a continuous quantity, not a gap in a crystal. The patch search is now hysteresis. A patch is labelled at a lower grow threshold (0.35) and kept only if it holds a cell above the seed threshold (0.50), which is the same thing as growing out of the seeds in one pass of the labeller rather than two. A cell between the two levels joins a crystal that already exists but can never start one, so no lowering of the grow threshold can turn a background into a crystal - and the negatives are safe by construction, since water peaks at 0.146 and ice at 0.490, both under the seed level. Both halves of the small-patch rule read the GROWN patch - the count includes the cells growth added and the peak is the patch's best cell wherever it lies - which is stated at the test, because a reader will otherwise wonder whether a grown cell can rescue a patch no seed would have admitted. It cannot: the patch is discarded before that test unless it holds a seed. The reported extents are those of the grown patch, so they reach the 0.35 contour. Over the corpus that is major_um x1.04 and n_images x1.07 at the median (x1.11 and x1.14 at the mean, +7% cells overall), and the cells it adds are spread fairly evenly over 0.35-0.50 rather than piled at the bottom - a crystal edge sampled at one grid step, not bleed into a neighbour that never diffracted. The patch mean falls with them, and can now sit below the seed threshold; the peak beside it is what the admission was decided on. RASTER_REPORT_VERSION is 3, because N_CELLS and the extents are a different measurement under the same names. The corpus table is unchanged: 17/17 protein, 0/4 water, 0/3 ice, 10/10 heldout. The split heals into one crystal, and one raster's five patches become three. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-08 07:34:36 +02:00
leonarski_fandClaude Opus 5	cdb60c2916	grid scan: one cell is a crystal when that cell is decisive, and the list can be capped ... The minimum patch size was a flat floor, so a crystal that covers one or two grid points was thrown away however strong its diffraction. It is now a floor OR a piece of evidence: a patch is reported when it has min_blob_cells cells, or when its best cell reaches decisive_protein_score. One condition, and both halves are parameters. The bar is the patch PEAK, not the patch mean. A two-cell patch with one strong cell and one marginal one is the case this exists for, and the mean averages exactly that evidence away. Over the 67 labelled rasters the two populations do not overlap: no water raster reaches a peak of 0.15 and no ice raster reaches 0.50, while the weakest protein raster peaks at 0.67 - so 0.6, the middle of that gap, is the default. The peak is reported beside the mean, in the table and in the JSON, so an admission can be checked against the number that decided it. max_crystals caps the returned list after the sort, best first; 0, the default, is all of them, because a crystal that was found and then dropped is information the caller cannot get back. The four parameters now travel as one GridScanAnalysisParameters, which is the shape the GridScanAnalysisSettings class in common/ is to take: when it lands it replaces this struct in the signature and nothing else changes. On the corpus this reaches 17/17 protein loops (it was 16/17 - the miss was a crystal covering two grid points of a 4x4 raster) with water still 0/4 and ice still 0/3. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-08 07:15:30 +02:00
leonarski_fandClaude Opus 5	21eca107fa	rugnux: --mode raster reads a stored grid scan and reports the crystals in it ... The offline entry point for a raster. It scores every image of a stored grid scan - spot finding for the per-cell resolution, no indexing, because a raster answers where the crystal is and not what its lattice is - hands the per-image protein and ice scores to AnalyzeGridScan, and writes what came back as two files beside the usual output: <prefix>_raster_report.txt in the idiom of the results report, and <prefix>_raster.json with the same content typed, so a battery can aggregate a sweep without scraping prose. --beam-size states the beam at the sample, defaulting to the file's incident_beam_size. It matters more than it looks: the reported crystal sizes are measured and still contain the beam, and taking an anisotropic beam back out is a subtraction of two covariance matrices, so a beam given as square when it is not rotates the reported crystal axis. --raster-protein-threshold and --raster-min-cells expose the two constants AnalyzeGridScan held at file scope, so a sweep can vary them without a rebuild; they are now defaulted parameters with the old values, and every existing call is unchanged. The observer feeding the analysis reads the file's own image number (DataMessage::original_number), not the loop's ordinal, so -s/-e/--stride cannot silently shift the grid mapping. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-08 00:01:39 +02:00
leonarski_fandClaude Opus 5	ee0ad8d149	grid scan: a completed raster is reduced to the crystals in it, oriented and ranked ... AnalyzeGridScan takes a finished ScanResult plus its GridScanSettings and returns the list of crystals the raster hit, sorted by score so element 0 is the one to collect. Pure function - no I/O, no FPGA, no JSON. Today the list holds nought or one entry; N is the point of the shape. The per-image protein score is scattered back onto the display grid through Rearrange, which already knows the snake order, the vertical flag and the step signs, thresholded, and labelled into blobs. Each blob is then measured: - Centre is a weighted centroid, pulled towards the cells that diffract best. The pull uses the RANK of the resolution inside the blob, never its value, so a salt grain reporting an absurd 0.8 A weighs exactly what a genuine best cell weighs and cannot drag the centre however extreme its number. A cell with no resolution gets the lowest weight rather than being dropped. The centroid of a banana- or L-shaped blob can land outside the blob, where no image exists, so image_number is snapped to the nearest cell that was actually collected. - Second moments are taken in micrometres, not in cells. A 20 x 16 um raster is ordinary and moments in cell units give a wrong angle - eight degrees wrong on the staircase in the tests. The angle is an axis, so it lives in [0,180) and wraps there. - The axis DIRECTION comes from the eigenvector but the LENGTH from the projected extent, because "how far do I scan" is an extent question and the constant taking a second moment to a length assumes a shape a blob of five cells does not have. Where the two disagree about which axis is longer - a moment dominated by clumps at the ends - the extents are swapped and the angle turned a quarter turn, so major_um >= minor_um with angle_deg along it is an invariant a consumer can draw a frame from. - score is the MEAN protein score over the blob, not the peak: the score saturates, so the peak is 1.0 for every real crystal and ranks nothing. res_A is the 25th percentile, not the minimum, the minimum being precisely where a salt spot or a hot pixel shows up; it is NaN when nothing in the blob measured a resolution. Sizes are measured and the beam is left in them. The beam is already in the file as incident_beam_size, so a consumer can deconvolve reproducibly and reversibly instead of inheriting ours; the result carries the beam size so it says what the extents contain. The header records that removing an anisotropic beam is a covariance-matrix subtraction followed by re-diagonalisation, not a per-axis quadrature removal, which is silently wrong whenever the crystal is not aligned with the grid - the needle case this design exists for. Labelling is a small dense flood fill in common/, 8-connected. StrongPixelSet::sparseccl is the wrong abstraction for a dense grid map: sparse union-find over raster-ordered strong pixels, hardcoded module dimensions, a 4000-pixel cap, spot-shape acceptance, and an FPGA header. 8-connected rather than 4 because where the step is coarser than the beam a needle at 45 degrees lands as corner-touching cells; under 4-connectivity that breaks into single cells and the minimum-size rule then discards the crystal entirely, which is the case oriented axes exist to catch. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-07 23:39:16 +02:00