rc167
5
Commits
| Author | SHA1 | Message | Date | |
|---|---|---|---|---|
  leonarski_fandClaude Opus 5
|
8db75bf8e7 |
grid scan: the viewer's Grid mode is settable, not only startable
Grid was a mode with no settings. It could be selected and run, but the raster it scored was whatever the file happened to record, what counted as a crystal was fixed at the compile-time defaults, and the settings a Grid run actually uses - the cell, spot finding, indexing - were built inside the MX page and therefore invisible in the mode that uses them. The unit cell, goniometer, spot-finding and indexing sections now sit outside the page stack and are shown for MX and Grid alike, the way the azimuthal section already was. That is not four convenient extras: a raster is scored out of the spots, indexes every cell by default, and is normally run against a known cell on a fixed target - and the goniometer section is where the grid geometry itself is stated. Bragg integration, scaling and the reference dataset stay on the MX page, because a raster integrates, scales and merges nothing. None of them is duplicated; a second control for one setting is a pair of controls that can disagree. The Grid page carries the analysis: the two score thresholds, the minimum cells per crystal, the decisive single-cell score, an optional cap and whether each cell is indexed. Every default is read from GridScanAnalysisSettings rather than written out again, so this panel and the web one cannot drift apart on what a default is; a test pins the numbers so that moving one is a decision rather than a side effect. No cap is spelled as an unticked box and not as a count that happens to mean "all". The settings ride to the run on the experiment, which now survives the panel's round trip through the reader. The grid geometry could already be edited but not trusted. A step of zero was quietly replaced by a default, which is the worst answer available: the map is reshaped, every crystal is reported somewhere else on the sample, and nothing looks wrong. It is now refused - no grid is set, the summary says which field is at fault, and the run is refused with it. The summary also says where the grid came from, the fields are highlighted when they are not the file's, and images that do not fill the last row are called out. The baseline for "not the file's" is taken when a file is opened, because datasetLoaded fires again after every edit and by then the file's grid is indistinguishable from one typed over it. Two defects found while verifying this. A raster is stored with a stationary omega beside its grid, since NXmx cannot say "no rotation" - and the panel read a goniometer of any kind as outranking the grid, so the first grid-scan run to come back carrying that placeholder axis flipped the panel to Rotation, and the next edit dropped the raster and got the following run refused. A goniometer that does not scan no longer outranks a grid. And a grid whose fields cannot make one is a half-finished edit, not a dataset that stopped being a raster, so it no longer throws the mode away under the user mid-edit. The Grid refusal now means what it says: no grid scan in the file AND none set in the panel. A file that records no raster - an older one, a foreign one - can be given one and analysed, which was the point. Verified headlessly on a stored raster: the Grid page shows the file's 13 x 15 grid and the analysis settings at their defaults, a run finds one crystal and draws it on the map, and the same run with the protein score threshold at 0.95 finds none - so the settings reach the analysis rather than merely being drawn. On a rotation dataset the mode is refused, accepted once a grid is entered, and refused again with a zero step. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N |
||
|
leonarski_fandClaude Opus 5
|
d4f280047f |
grid scan: a raster reaches the spot engine, and the crystal cap says none rather than zero
Two defects the merge created and one the API carried. Rugnux gated the per-image spot engine on AnalysisModeIsMX, so AnalysisMode::Grid fell through to the azimuthal-integration-only path: a raster ran, scored nothing, and reported no crystals. The gate now asks the stages table whether the mode does spot finding, which is the actual question - three modes need that engine for three different reasons, and a fourth would otherwise have to be remembered here too. max_crystals was a required integer defaulting to 10, with 0 meaning "all". Zero reads as "report no crystals", the opposite of what it did. It is now optional, and absent means no cap; a crystal found and then dropped is information the caller cannot get back. grow_score_threshold was missing from the schema entirely. Measured over the labelled corpus after these fixes: 34 of 34 confirmed-protein rasters yield a crystal, 0 of 8 water, 0 of 6 ice, 19 of 19 heldout. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N |
||
|
leonarski_fandClaude Opus 5
|
98132d0f83 |
analysis: every analysis method carries its own settings, and a raster's indexing is one of them
AnalysisSettings had begun collecting per-method parameters - the calibrant was already in it, and the grid thresholds were about to be. That makes the structure every method reads grow whenever any one method gains a knob, and it puts a field in front of readers for whom it means nothing. So: AnalysisSettings keeps what all methods share, which for now is the mode, and each method gets a class of its own bound the same way. GridScanAnalysisSettings holds the protein-score threshold, the minimum cells per crystal, the decisive single-cell score, the maximum crystals reported and the indexing switch. CalibrationSettings holds the calibrant and the ring source. Both sit on DiffractionExperiment outside the per-run dataset member, both have an Import/Get pair, and both have their own endpoint - /config/grid_scan_analysis and /config/calibration - which is how every other settings group in this API is already reached. Grid indexing is no longer fixed in the stages table. It was turned off there on cost grounds, and that reasoning does not hold: a raster runs at up to 100 Hz, which the FFT indexer keeps up with, and a fixed-target serial experiment with a known cell wants ffbidx on every cell, where a raster that indexes is most of the measurement. So it is a setting, and DEFAULTS ON. It is additive rather than a change of answer - blobs are still found on the protein score, so indexing alters nothing about which cells are called crystals and only adds what was found in them, including the per-cell lattice count, which is the cheapest multi-lattice or cracked-crystal signal there is. That makes indexing the one stage a mode does not decide. AnalysisModeStages still carries a value for it, but only as the setting's default, and DiffractionExperiment::GetAnalysisStages - which is what every gate reads - substitutes the configured one. The table row is marked so nobody reads it as the mode's answer. The calibration knobs stay coupled to the mode but the rule now lives with them: CalibrationSettings::ApplyToAzimuthalIntegration moves azimuthal integration onto the CPU and supplies sectors where fewer than four were asked for, carrying the reason with it - the FPGA integration core holds 2048 bins in total, so 32 sectors leave 64 q bins, which cannot locate a ring. Stated there because it will otherwise read as an FPGA defect to be fixed back onto that path, and it is not one: the core is sized for a detector at full rate, and a calibration exposure is a few images at a few Hz. Both imports apply it, so the order the mode and the calibration settings are set in does not matter. CalibrationMethod moves from image_analysis/geom_refinement/PowderCalibration.h into common/CalibrationSettings.h, which that header now includes. One enum, so the setting and the code consuming it are not two vocabularies; every existing user sees it unchanged. The grid thresholds have one home and it is this class. The raster work owns AnalyzeGridScan's parameter surface and carries PROTEIN_SCORE_THRESHOLD_DEFAULT / MIN_BLOB_CELLS_DEFAULT beside that header today; the header here states the signature that replaces them, so the two do not become competing defaults. The beam size deliberately stays a separate argument to AnalyzeGridScan: it is measured, not configured. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N |
||
|
leonarski_fandClaude Opus 5
|
550f7c7d7b |
scan result: a grid scan's crystals and a calibration's geometry reach the stream, the file and the API
A grid scan and a powder calibration each produce an answer that is not a per-image number, and neither had anywhere to go. ScanResult gains two top-level optionals, grid and calibration, in the same idiom the three rotation_* members already use: a mode's payload is present when that mode ran and absent otherwise. images stays required, so every existing /result/scan client - the python client and the beamline scripts on it - is untouched. No oneOf or discriminator. The spec contains none today, so polymorphism is unexercised across all three generators at once, and the only thing it would buy is making "exactly one payload" structurally true rather than true by convention. powder_calibration_output has been fully specified and referenced by nothing since it was written; the calibration member reuses it. The crystal list travels the same three hops a per-image quantity does. In the CBOR end message grid_crystals is an array of maps keyed by field name - the shape a spot already uses - so a reader that does not know a field skips it and the record survives a field being added; the deserializer steps over an unknown key rather than reading its payload as the next one. In the HDF5 master it is parallel 1-D datasets under /entry/MX/crystals, one per field, because crystals are numbered rather than named and a group per crystal would put the index in the path. The reader reads them back so a stored raster re-opens with what it found. Nothing caps the list at one. A raster can find several crystals and the ordering carries the answer: sorted by score, best first. angle_deg is an axis, not a direction. It lies in [0, 180) and wraps, so 179 and 0 are adjacent and two of these do not average arithmetically - a pair of nearly parallel needles averaged across the wrap comes out as a right angle. That is stated at every layer it passes through, since it is the kind of field a consumer will reach for without reading the producer. The producer side is not wired yet: nothing fills ScanResult::grid or EndMessage::grid_crystals here. The seam is receiver/JFJochReceiver.cpp, where rotation_lattice is filled in EndDataCollection and GetFinalStatistics. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N |
||
|
leonarski_fandClaude Opus 5
|
a7d3ada3ab |
analysis: what runs over the images is one stated mode, shared by broker, rugnux and viewer
Until now nothing in the tree said what analysis a run performed. The answer was composed
at each site out of four independent scalars - the detector type, two separate "spot finding
off" switches, an indexing flag and a rotation flag - so what was configured and what
actually ran were different things, and no single place could be read to find out which.
AnalysisMode {None, MXRotation, MXStills, Azint, Grid, PowderCalibration} is that statement,
in common/ because all three programs configure the DiffractionExperiment that carries it.
AnalysisSettings sits on the experiment beside IndexingSettings, outside the DatasetSettings
member, which is the one thing a /start replaces wholesale - so the mode is persistent by
construction rather than by a rule someone has to remember.
The mode does not label a run, it decides it. AnalysisModeStages() is a table - modes as
rows, pipeline stages as columns - and every gate reads that table instead of testing the
mode: spot finding in DiffractionExperiment::IsSpotFindingEnabled, indexing (and with it
prediction and integration, which never run without a lattice) in one gate inside
IndexAndRefine that serves all three front ends, azimuthal integration where the CPU engine
is built. Two rows carry a judgement worth reviewing: powder calibration keeps spot finding,
because --calibration spots fits the pooled spots; grid does not index, because a raster is
thousands of frames and the per-image scoring it ranks on deliberately avoids an indexer that
fires on ice.
There is deliberately no Auto value. GetIndexingAlgorithm() resolves Auto at read time, which
is exactly why an indexing setting cannot be read back off the configuration; removing that
kind of implicitness is the point here, so the mode getter stays a plain accessor. MXStills
is the default because None would silently switch analysis off on every deployment whose
configuration predates the field.
Rotation MX is absent from the OpenAPI schema rather than present and refused: jfjoch_broker
has no rotation analysis path, so the REST and configuration-file routes cannot express it at
all. The shared enum can still carry the value from elsewhere, so CheckAnalysisSettingsOnline
refuses it on both routes with a message naming rugnux. A sweep collected under an MX mode is
not refused - collecting rotation data online is normal and live spot counts are useful - but
it is said out loud in the log, since the mistake worth preventing is the silence about what
was done to it, not the acquisition.
Powder calibration forces azimuthal integration onto the CPU and supplies 32 sectors where
fewer than four were asked for. The FPGA integration core holds 2048 bins in total, so 32
sectors would leave 64 q bins - far too coarse to fit a ring. Frame rate is what this costs
and a calibration exposure does not need it.
The two existing "no analysis" switches, per-dataset dataset_settings.spot_finding and
persistent SpotFindingSettings::enable, are interfaces in too many places to remove now. They
are marked deprecated in the schema and in both headers, and the mode takes precedence over
them: a mode that analyses no spots wins outright, while under a mode that does find spots
they remain the finer control. The precedence is written where it is enforced.
rugnux's ProcessMode is gone, replaced by the shared enum; RugnuxMode stays as the CLI
spelling layer and no existing spelling changes. --mode gains mx_rotation and mx_stills, which
are spellings of -R and --force-still rather than new switches; plain mx still chooses between
them from the goniometer. scale keeps no shared counterpart, since it runs no analysis over
images at all.
The mode reaches the CBOR start message and /entry/MX/analysis_mode in the HDF5 master, so a
written file records which analysis produced it. It is read back as provenance only - what a
stored file was produced by is not what the next run should do.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N
|