A rugnux live run that placed a model keeps it, with a copy of its map coefficients, beside the live status (RugnuxStructure), for as long as /rugnux/status keeps the run. Made in memory on the first request and cached, never written to disk: - GET /rugnux/model.cif: the placed model as mmCIF, labelled as WritePlacedModel labels _model.cif (PlacedModelMmcif, the labelling factored out of WritePlacedModel; the file output is unchanged). - GET /rugnux/map.ccp4?type=2fofc|fofc: the 2mFo-DFc / mFo-DFc map as a CCP4 map, FFT of the FWT/PHWT or DELFWT/PHDELWT coefficients (get_f_phi_on_grid + MapFromFPhi, sampled as ModelValidation samples), cut to the box around the model plus 5 A, with the whole cell's mean and RMS in the header. - 404 without a placed model or maps, 400 for an unknown map type; both routes protected by the dataset bearer token like /rugnux/status. rugnux_live_status gets placed_model. C++ model, python client docs, TypeScript client and redoc regenerated. Tests: a point's coefficients give a map peaking at the atom in a cropped box; the mmCIF; the structure is cleared at the next start; the auth test covers the new routes. End to end (myoglobin 2M replay with an AlphaFold model): the maps equal gemmi's FFT of the written _maps.mtz to 2.5e-6 rms. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu (cherry picked from commit 33124c3288ba112def3f51c0d91f5206886f3495)
139 lines
4.3 KiB
C++
139 lines
4.3 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include "RugnuxLiveStatus.h"
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double RugnuxLiveStatus::Since(std::chrono::steady_clock::time_point t) const {
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return std::chrono::duration<double>(t - start).count();
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}
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double RugnuxLiveStatus::Now() const {
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return Since(std::chrono::steady_clock::now());
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}
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void RugnuxLiveStatus::CloseStep() {
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if (!s.steps.empty() && !s.steps.back().duration_s)
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s.steps.back().duration_s = Now() - s.steps.back().started_s;
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}
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void RugnuxLiveStatus::Start(int64_t images_expected, std::optional<double> expected_collection_s,
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std::chrono::steady_clock::time_point start_received) {
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std::unique_lock ul(m);
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s = RugnuxLiveSnapshot{};
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s.state = RugnuxLiveState::Running;
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s.images_expected = images_expected;
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s.expected_collection_s = expected_collection_s;
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start = start_received;
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last_image.reset();
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}
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void RugnuxLiveStatus::ImageReceived(std::chrono::steady_clock::time_point received) {
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std::unique_lock ul(m);
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++s.images_received;
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// Several forward threads report, so the images need not come here in the order they arrived.
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const double t = Since(received);
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if (!s.start_to_first_image_s || t < s.start_to_first_image_s.value())
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s.start_to_first_image_s = t;
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if (!last_image || received > last_image.value())
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last_image = received;
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}
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void RugnuxLiveStatus::Step(const std::string &title) {
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std::unique_lock ul(m);
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CloseStep();
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s.steps.push_back(RugnuxLiveStep{.title = title, .started_s = Now()});
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s.step_progress.reset();
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}
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void RugnuxLiveStatus::Note(const std::string &text) {
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std::unique_lock ul(m);
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if (s.steps.empty())
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s.steps.push_back(RugnuxLiveStep{.title = "", .started_s = Now()});
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s.steps.back().notes.push_back(text);
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}
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void RugnuxLiveStatus::Progress(uint64_t done, uint64_t total) {
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std::unique_lock ul(m);
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if (total > 0)
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s.step_progress = static_cast<float>(done) / static_cast<float>(total);
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}
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void RugnuxLiveStatus::Finish(RugnuxLiveState state, const std::string &message) {
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std::unique_lock ul(m);
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CloseStep();
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s.elapsed_s = Now();
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s.state = state;
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s.message = message;
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s.step_progress.reset();
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}
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void RugnuxLiveStatus::Result(const std::string &verdict, const std::string &verdict_text,
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const std::vector<std::pair<std::string, std::string>> &summary,
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const std::vector<std::string> &warnings) {
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std::unique_lock ul(m);
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s.verdict = verdict;
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s.verdict_text = verdict_text;
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s.summary = summary;
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s.warnings = warnings;
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}
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void RugnuxLiveStatus::Latency(double last_image_to_written_s) {
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std::unique_lock ul(m);
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s.last_image_to_written_s = last_image_to_written_s;
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}
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std::optional<std::chrono::steady_clock::time_point> RugnuxLiveStatus::LastImage() {
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std::unique_lock ul(m);
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if (last_image)
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s.last_image_s = Since(last_image.value());
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return last_image;
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}
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void RugnuxLiveStatus::Cut(const std::string &reason) {
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std::unique_lock ul(m);
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s.cut = reason;
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s.cut_s = Now();
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}
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void RugnuxLiveStatus::Probe(const std::string &text) {
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std::unique_lock ul(m);
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s.probe = text;
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s.probe_s = Now();
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}
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void RugnuxLiveStatus::Warning(const std::string &text) {
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std::unique_lock ul(m);
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s.warnings.push_back(text);
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}
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void RugnuxLiveStatus::Structure(std::shared_ptr<const RugnuxStructure> structure) {
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std::unique_lock ul(m);
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s.structure = std::move(structure);
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}
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void RugnuxLiveStatus::Clear() {
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std::unique_lock ul(m);
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s = RugnuxLiveSnapshot{};
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last_image.reset();
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}
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RugnuxLiveSnapshot RugnuxLiveStatus::Get() const {
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std::unique_lock ul(m);
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RugnuxLiveSnapshot ret = s;
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if (s.state == RugnuxLiveState::Running)
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ret.elapsed_s = Now();
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// Held since START, reported since the first image - or, before it has come, since now.
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const double zero = s.start_to_first_image_s.value_or(s.state == RugnuxLiveState::Running ? ret.elapsed_s : 0.0);
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ret.elapsed_s -= zero;
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for (auto &step: ret.steps)
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step.started_s -= zero;
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if (ret.probe_s)
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*ret.probe_s -= zero;
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if (ret.last_image_s)
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*ret.last_image_s -= zero;
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if (ret.cut_s)
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*ret.cut_s -= zero;
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return ret;
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}
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