@cyanheads/protein-mcp-server 0.5.3 → 0.7.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/AGENTS.md +5 -5
- package/CLAUDE.md +5 -5
- package/README.md +8 -6
- package/changelog/0.6.x/0.6.0.md +34 -0
- package/changelog/0.7.x/0.7.0.md +25 -0
- package/dist/mcp-server/resources/definitions/pdb-summary.resource.d.ts +5 -3
- package/dist/mcp-server/resources/definitions/pdb-summary.resource.d.ts.map +1 -1
- package/dist/mcp-server/resources/definitions/pdb-summary.resource.js +8 -22
- package/dist/mcp-server/resources/definitions/pdb-summary.resource.js.map +1 -1
- package/dist/mcp-server/tools/definitions/_schemas.d.ts +40 -1
- package/dist/mcp-server/tools/definitions/_schemas.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/_schemas.js +81 -3
- package/dist/mcp-server/tools/definitions/_schemas.js.map +1 -1
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.d.ts +3 -7
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.js +43 -21
- package/dist/mcp-server/tools/definitions/analyze-collection.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/compare-structures.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/compare-structures.tool.js +1 -1
- package/dist/mcp-server/tools/definitions/compare-structures.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.js +2 -2
- package/dist/mcp-server/tools/definitions/get-annotations.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts +22 -3
- package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-structure.tool.js +115 -36
- package/dist/mcp-server/tools/definitions/get-structure.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/search-structures.tool.d.ts +5 -0
- package/dist/mcp-server/tools/definitions/search-structures.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-structures.tool.js +45 -5
- package/dist/mcp-server/tools/definitions/search-structures.tool.js.map +1 -1
- package/dist/services/rcsb/facets.d.ts +20 -1
- package/dist/services/rcsb/facets.d.ts.map +1 -1
- package/dist/services/rcsb/facets.js +36 -3
- package/dist/services/rcsb/facets.js.map +1 -1
- package/dist/services/rcsb/rcsb-service.d.ts.map +1 -1
- package/dist/services/rcsb/rcsb-service.js +10 -3
- package/dist/services/rcsb/rcsb-service.js.map +1 -1
- package/dist/services/rcsb/types.d.ts +11 -2
- package/dist/services/rcsb/types.d.ts.map +1 -1
- package/package.json +8 -8
- package/server.json +3 -3
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@@ -2,9 +2,12 @@
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* @fileoverview protein_get_structure — fetch experimental, predicted, or
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* best-available structures by ID. Batches up to N experimental IDs in one RCSB
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* GraphQL call with per-ID partial success (`failed[]`). Optionally inlines
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* coordinate-file content; when that overflows a byte budget
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*
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*
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* coordinate-file content; when that overflows a byte budget the content is
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* withheld from both surfaces and a per-structure size outline is returned
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* instead of truncating. Every success-path advisory — batch cap, partial
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* failure, overflow, failed inlining — accumulates into one notice, since the
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* framework's `notice` field is last-write-wins. Carries upstream data
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* attribution (RCSB PDB / AlphaFold DB) per response.
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* @module mcp-server/tools/definitions/get-structure.tool
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*/
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import { tool, z } from '@cyanheads/mcp-ts-core';
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@@ -18,7 +21,7 @@ import { mapWithConcurrency } from '../../../services/shared/async.js';
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import { attributionsFor } from '../../../services/shared/attribution.js';
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import { fetchText } from '../../../services/shared/http.js';
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import { isAlphaFoldEntryId, isPdbId, isUniProtAccession } from '../../../services/shared/identifiers.js';
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import { attributionSchema, renderAttribution } from './_schemas.js';
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import { attributionSchema, ligandSchema, polymerEntitySchema, renderAttribution, } from './_schemas.js';
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const confidenceBucketsSchema = z.object({
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veryLow: z.number().describe('Fraction of residues with pLDDT < 50.'),
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low: z.number().describe('Fraction with pLDDT 50–70.'),
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@@ -39,6 +42,22 @@ const structureRecordSchema = z
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method: z.string().optional().describe('Experimental method(s).'),
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resolution: z.number().optional().describe('Resolution in Å (experimental).'),
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organism: z.string().optional().describe('Source organism.'),
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molecularWeight: z
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.number()
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.optional()
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.describe('Deposited structure molecular weight in kDa, from the RCSB entry record. Omitted when the record does not report one.'),
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releaseDate: z
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.string()
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.optional()
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.describe('Initial release date (ISO 8601), from the RCSB entry record. Omitted when the record does not report one.'),
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polymerEntities: z
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.array(polymerEntitySchema)
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.optional()
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.describe('Modeled polymer entities, each with both chain namespaces — authAsymIds for protein_get_annotations.chain, labelAsymIds for protein_compare_structures.chain. Present for records served by the RCSB entry endpoint (source experimental, computed models included); omitted for predicted / best_available records and for entries with none.'),
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ligands: z
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.array(ligandSchema)
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.optional()
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.describe('Bound non-polymer components. Present for records served by the RCSB entry endpoint; omitted when the entry binds none or the record carries no ligand data.'),
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provider: z.string().optional().describe('Model provider (predicted / best_available).'),
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confidence: z
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.number()
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@@ -78,16 +97,7 @@ const structureRecordSchema = z
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.describe('A resolved structure with metadata and coordinate-file URLs.');
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export const getStructure = tool('protein_get_structure', {
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title: 'protein-mcp-server: get structure',
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description:
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'(batched in one call), and also resolves the computed-model IDs protein_search_structures returns ' +
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'(AF_*/MA_*), which come back marked source "predicted" with their modelling provider; ' +
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'"predicted" takes UniProt accessions (AlphaFold, with pLDDT/PAE confidence); ' +
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'"best_available" takes UniProt accessions and returns the top federated model — the highest-resolution ' +
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'experimental structure if one exists (optimizing resolution, not biological representativeness, so it can ' +
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'return an engineered mutant over the wild-type entry), else the best prediction. Resolves up to the ' +
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'configured batch cap per call with per-ID partial success — missed IDs are listed in failed[]. Set ' +
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'include_coords to inline coordinate content; if that overflows, a section outline is returned — re-call ' +
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'with sections:[ids] to inline specific structures.',
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description: `Fetch structures with metadata and coordinate-file URLs. source "experimental" takes PDB entry IDs (batched in one call), and also resolves the computed-model IDs protein_search_structures returns (AF_*/MA_*), which come back marked source "predicted" with their modelling provider; "predicted" takes UniProt accessions (AlphaFold, with pLDDT/PAE confidence); "best_available" takes UniProt accessions and returns the top federated model — the highest-resolution experimental structure if one exists (optimizing resolution, not biological representativeness, so it can return an engineered mutant over the wild-type entry), else the best prediction. Records served by the RCSB entry endpoint also carry polymer entities with both chain namespaces (labelAsymIds for protein_compare_structures, authAsymIds for protein_get_annotations), bound ligands, molecular weight, and release date. Resolves up to the configured batch cap per call with per-ID partial success — missed IDs are listed in failed[], and IDs beyond the cap are reported in the notice. Set include_coords to inline coordinate content; if the inlined bytes exceed the response budget the content is withheld and overflow lists each structure's size — re-call with sections:[ids] for specific structures, or for a single oversized file download it from that record's coordinateUrls.`,
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annotations: { readOnlyHint: true, openWorldHint: true },
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errors: [
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{
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@@ -154,15 +164,26 @@ export const getStructure = tool('protein_get_structure', {
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.describe('Present only when inlined coordinates across the batch exceeded the response budget.'),
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}),
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enrichment: {
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requested: z
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requested: z
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.number()
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.describe('Number of IDs in the original request (input.ids.length), before the batch cap was applied.'),
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processed: z
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.number()
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.describe('Number of IDs actually processed after the batch cap. Lower than requested means the excess IDs were ignored and never looked up — re-submit them in a follow-up call.'),
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resolved: z.number().describe('Number of processed IDs that resolved to a structure.'),
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notice: z
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.string()
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.optional()
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.describe('Every applicable advisory joined into one string: batch cap, partial failures, coordinate-budget overflow, and failed coordinate inlining.'),
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},
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async handler(input, ctx) {
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const cfg = getServerConfig();
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const ids = input.ids.slice(0, cfg.maxBatchIds).map((s) => s.trim());
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// `ctx.enrich.notice` is last-write-wins, so a second call erases the first.
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// Every advisory this handler can raise accumulates here and is written once.
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const notices = [];
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if (input.ids.length > cfg.maxBatchIds) {
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notices.push(`Batch capped at ${cfg.maxBatchIds} IDs; ${input.ids.length - cfg.maxBatchIds} ignored.`);
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}
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if (input.source === 'experimental') {
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if (ids.some((id) => isUniProtAccession(id) && !isPdbId(id))) {
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@@ -178,6 +199,9 @@ export const getStructure = tool('protein_get_structure', {
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if (structures.length === 0) {
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throw ctx.fail('all_failed', `None of the ${ids.length} requested IDs resolved to a structure.`, { ...ctx.recoveryFor('all_failed') });
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}
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if (failed.length > 0) {
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notices.push(`${failed.length} of ${ids.length} IDs did not resolve: ${failed.map((f) => f.id).join(', ')}.`);
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}
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// Inline coordinates when requested (all, or only the re-called sections).
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const inlineSet = input.sections?.length
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? new Set(input.sections.map((s) => s.toUpperCase()))
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? 'all'
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: null;
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if (inlineSet) {
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await inlineCoordinates(structures, inlineSet, cfg.fanoutConcurrency, ctx);
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const inlineFailures = await inlineCoordinates(structures, inlineSet, cfg.fanoutConcurrency, ctx);
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if (inlineFailures.length > 0) {
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notices.push(`Coordinate inlining failed for ${inlineFailures.join(', ')}; the metadata is complete but the coordinate content is missing — retry, or download the file from that structure's coordinateUrls.`);
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}
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}
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// Overflow guard:
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//
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//
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// Overflow guard: one coordinate file can blow the response budget on its own
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// (4HHB.cif is ~30× it), so the budget applies to the inlined total however few
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// files it spans. Over budget the payload is withheld from both surfaces and
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// `overflow` carries the per-structure size index. A lone withheld file is
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// pointed at its own coordinateUrls — a `sections` re-call would return the
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// identical bytes — while a batch keeps the targeted re-call. A `sections`
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// re-call is not itself re-gated: the caller has already named the exact bytes.
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let overflow;
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if (inlineSet === 'all') {
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const withCoords = structures.filter((s) => s.coordinates);
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const total = withCoords.reduce((n, s) => n + (s.coordinates?.length ?? 0), 0);
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if (
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if (total > DEFAULT_OUTLINE_BUDGET_BYTES) {
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const sections = withCoords.map((s) => ({ id: s.id, bytes: s.coordinates?.length ?? 0 }));
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for (const s of structures) {
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delete s.coordinates;
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delete s.coordinateFormat;
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}
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overflow
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};
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// One string for `overflow.notice` and the enrichment accumulator, so the
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// structured and text surfaces cannot describe the withheld state differently.
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const overflowNotice = sections.length === 1
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? `Inlined coordinates for ${sections[0]?.id} (${total} bytes) exceeded the ${DEFAULT_OUTLINE_BUDGET_BYTES}-byte budget and were withheld. Download the file from that structure's coordinateUrls — re-calling for the lone section would return the same bytes.`
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: `Inlined coordinates (${total} bytes across ${sections.length} structures) exceeded the ${DEFAULT_OUTLINE_BUDGET_BYTES}-byte budget. Re-call with sections:["${sections[0]?.id}"] (add more IDs as needed) to inline specific structures.`;
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overflow = { sections, notice: overflowNotice };
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notices.push(overflowNotice);
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}
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}
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ctx.enrich({
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requested: input.ids.length,
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processed: ids.length,
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resolved: structures.length,
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});
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if (notices.length > 0)
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ctx.enrich.notice(notices.join(' '));
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// Attribution is a per-response union of the sources actually present, keyed
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// off each record's real provider. Experimental data is fetched from RCSB
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// regardless of the beacon's provider label. best_available federates predicted
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};
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},
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format: (result) => {
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// A structure named in the overflow index had its payload withheld from the
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// structured surface; the text surface must not render a prefix of it either.
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const withheld = new Set(result.overflow?.sections.map((s) => s.id) ?? []);
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const lines = [`## Structures (${result.structures.length})`];
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for (const s of result.structures) {
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lines.push(`\n### ${s.id} _(${s.source})_`);
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s.method ? `**Method:** ${s.method}` : null,
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typeof s.resolution === 'number' ? `**Resolution:** ${s.resolution} Å` : null,
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s.organism ? `**Organism:** ${s.organism}` : null,
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typeof s.molecularWeight === 'number' ? `**MW:** ${s.molecularWeight} kDa` : null,
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s.releaseDate ? `**Released:** ${s.releaseDate}` : null,
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s.provider ? `**Provider:** ${s.provider}` : null,
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typeof s.confidence === 'number'
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? `**Confidence:** ${s.confidence}${s.confidenceType ? ` (${s.confidenceType})` : ''}`
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const b = s.confidenceBuckets;
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lines.push(`**Confidence:** veryHigh ${pct(b.veryHigh)} · confident ${pct(b.confident)} · low ${pct(b.low)} · veryLow ${pct(b.veryLow)}`);
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}
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if (s.polymerEntities && s.polymerEntities.length > 0) {
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lines.push('**Polymer entities:**');
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for (const e of s.polymerEntities) {
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const parts = [
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e.description,
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e.organism,
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// Both namespaces are labelled, never merged — they are not interchangeable.
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e.authAsymIds ? `auth_asym_id: ${e.authAsymIds.join(', ')}` : null,
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e.labelAsymIds ? `label_asym_id: ${e.labelAsymIds.join(', ')}` : null,
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typeof e.sequenceLength === 'number' ? `${e.sequenceLength} residues` : null,
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].filter(Boolean);
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lines.push(`- **${e.entityId}** — ${parts.join(' · ')}`);
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}
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}
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if (s.ligands && s.ligands.length > 0) {
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lines.push('**Ligands:**');
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for (const l of s.ligands) {
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const parts = [l.name, l.formula].filter(Boolean);
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lines.push(`- **${l.compId}**${parts.length > 0 ? ` — ${parts.join(' · ')}` : ''}`);
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}
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}
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const urls = [
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s.coordinateUrls.cif ? `[cif](${s.coordinateUrls.cif})` : null,
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s.coordinateUrls.pdb ? `[pdb](${s.coordinateUrls.pdb})` : null,
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lines.push(`**Coordinates:** ${urls.join(' · ')}`);
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if (s.paeDocUrl)
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lines.push(`**PAE:** ${s.paeDocUrl}`);
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if (s.
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if (withheld.has(s.id)) {
|
|
329
|
+
lines.push('**Coordinates withheld** — over the inline budget; see the URLs above.');
|
|
330
|
+
}
|
|
331
|
+
else if (s.coordinates) {
|
|
269
332
|
lines.push(`**Inlined ${s.coordinateFormat ?? 'coordinates'} (${s.coordinates.length} bytes):**`);
|
|
270
333
|
lines.push('```', s.coordinates.slice(0, 2000), s.coordinates.length > 2000 ? '… (truncated in text view)' : '', '```');
|
|
271
334
|
}
|
|
@@ -315,7 +378,15 @@ async function fetchExperimental(ids, ctx) {
|
|
|
315
378
|
...(meta.title ? { title: meta.title } : {}),
|
|
316
379
|
...(meta.methods && meta.methods.length > 0 ? { method: meta.methods.join(', ') } : {}),
|
|
317
380
|
...(typeof meta.resolution === 'number' ? { resolution: meta.resolution } : {}),
|
|
381
|
+
...(typeof meta.molecularWeight === 'number'
|
|
382
|
+
? { molecularWeight: meta.molecularWeight }
|
|
383
|
+
: {}),
|
|
384
|
+
...(meta.releaseDate ? { releaseDate: meta.releaseDate } : {}),
|
|
318
385
|
...(meta.organisms.length > 0 ? { organism: meta.organisms[0] } : {}),
|
|
386
|
+
// Already on EntryMeta from the same getEntries() call — omitted rather than
|
|
387
|
+
// emitted empty, so a sparse entry does not read as "this entry has none".
|
|
388
|
+
...(meta.polymerEntities.length > 0 ? { polymerEntities: meta.polymerEntities } : {}),
|
|
389
|
+
...(meta.ligands.length > 0 ? { ligands: meta.ligands } : {}),
|
|
319
390
|
coordinateUrls: {
|
|
320
391
|
cif: rcsb.coordinateFileUrl(meta.id, 'cif'),
|
|
321
392
|
pdb: rcsb.coordinateFileUrl(meta.id, 'pdb'),
|
|
@@ -436,9 +507,15 @@ function coordinateUrlFor(url) {
|
|
|
436
507
|
return { pdb: url };
|
|
437
508
|
return { cif: url };
|
|
438
509
|
}
|
|
439
|
-
/**
|
|
510
|
+
/**
|
|
511
|
+
* Fetch and inline coordinate content for the requested structures. Returns the
|
|
512
|
+
* IDs whose fetch failed — a record that silently lacks `coordinates` is
|
|
513
|
+
* indistinguishable from one that was never asked to inline, so the caller needs
|
|
514
|
+
* the failure named in the response rather than only in the log.
|
|
515
|
+
*/
|
|
440
516
|
async function inlineCoordinates(structures, inline, concurrency, ctx) {
|
|
441
517
|
const targets = structures.filter((s) => inline === 'all' || inline.has(s.id.toUpperCase()));
|
|
518
|
+
const failures = [];
|
|
442
519
|
await mapWithConcurrency(targets, concurrency, async (s) => {
|
|
443
520
|
const pick = s.coordinateUrls.cif
|
|
444
521
|
? ['cif', s.coordinateUrls.cif]
|
|
@@ -461,7 +538,9 @@ async function inlineCoordinates(structures, inline, concurrency, ctx) {
|
|
|
461
538
|
id: s.id,
|
|
462
539
|
error: err instanceof Error ? err.message : err,
|
|
463
540
|
});
|
|
541
|
+
failures.push(s.id);
|
|
464
542
|
}
|
|
465
543
|
});
|
|
544
|
+
return failures;
|
|
466
545
|
}
|
|
467
546
|
//# sourceMappingURL=get-structure.tool.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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@@ -61,6 +61,11 @@ export declare const searchStructures: import("@cyanheads/mcp-ts-core").ToolDefi
|
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61
61
|
readonly code: JsonRpcErrorCode.InvalidParams;
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62
62
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readonly when: "No query, sequence, organism, method, or maximum resolution was provided — nothing to search on.";
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63
63
|
readonly recovery: "Provide a free-text query, protein sequence, organism name, experimental method, or maximum resolution.";
|
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64
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+
}, {
|
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65
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+
readonly reason: "sequence_modifier_without_sequence";
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66
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+
readonly code: JsonRpcErrorCode.InvalidParams;
|
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67
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+
readonly when: "min_identity or max_evalue was supplied with no sequence, so the threshold would never reach a sequence search.";
|
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68
|
+
readonly recovery: "Add a sequence to run a similarity search these thresholds can filter, or drop min_identity and max_evalue and search on the remaining criteria.";
|
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64
69
|
}, {
|
|
65
70
|
readonly reason: "duplicate_dimension";
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66
71
|
readonly code: JsonRpcErrorCode.InvalidParams;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"search-structures.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-structures.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;
|
|
1
|
+
{"version":3,"file":"search-structures.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-structures.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAwDjE,eAAO,MAAM,gBAAgB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAsR3B,CAAC"}
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@@ -30,6 +30,24 @@ function isPredictedId(id) {
|
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|
30
30
|
function accessionFromCsm(id) {
|
|
31
31
|
return /AF_AF([A-Z0-9]+?)F\d+$/i.exec(id)?.[1]?.toUpperCase();
|
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32
32
|
}
|
|
33
|
+
/**
|
|
34
|
+
* Advisory for the facet dimensions the bucket cap sliced, naming every one of
|
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35
|
+
* them rather than the first. The cap here is fixed server-side with no per-call
|
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36
|
+
* override, so the route to the long tail is another tool: every dimension this
|
|
37
|
+
* tool facets is also a `protein_analyze_collection` `group_by` value, and that
|
|
38
|
+
* tool takes a `bucket_limit` up to 500.
|
|
39
|
+
*
|
|
40
|
+
* A sequence search has no such route — `protein_analyze_collection` has no
|
|
41
|
+
* sequence input, so it cannot reproduce the result set the facet describes.
|
|
42
|
+
* Pointing there would hand back a different distribution under the same name,
|
|
43
|
+
* so that case is told to narrow the request instead.
|
|
44
|
+
*/
|
|
45
|
+
function truncationNotice(dimensions, cap, sequenceSearch) {
|
|
46
|
+
const named = `${dimensions.join(' and ')} ${dimensions.length > 1 ? 'were' : 'was'} capped at ${cap} buckets`;
|
|
47
|
+
return sequenceSearch
|
|
48
|
+
? `${named}. protein_analyze_collection cannot reproduce a sequence search, so narrow this request instead: drop sequence, or add organism, method, max_resolution, or query filters to shrink the distribution before the cap.`
|
|
49
|
+
: `${named}. Call protein_analyze_collection with ${dimensions.length > 1 ? 'each dimension' : 'that dimension'} in group_by and a bucket_limit above ${cap} (up to 500) to reach the long tail.`;
|
|
50
|
+
}
|
|
33
51
|
export const searchStructures = tool('protein_search_structures', {
|
|
34
52
|
title: 'protein-mcp-server: search structures',
|
|
35
53
|
description: 'Search experimental (PDB) and predicted (computed-model) protein structures by free text, ' +
|
|
@@ -49,6 +67,12 @@ export const searchStructures = tool('protein_search_structures', {
|
|
|
49
67
|
when: 'No query, sequence, organism, method, or maximum resolution was provided — nothing to search on.',
|
|
50
68
|
recovery: 'Provide a free-text query, protein sequence, organism name, experimental method, or maximum resolution.',
|
|
51
69
|
},
|
|
70
|
+
{
|
|
71
|
+
reason: 'sequence_modifier_without_sequence',
|
|
72
|
+
code: JsonRpcErrorCode.InvalidParams,
|
|
73
|
+
when: 'min_identity or max_evalue was supplied with no sequence, so the threshold would never reach a sequence search.',
|
|
74
|
+
recovery: 'Add a sequence to run a similarity search these thresholds can filter, or drop min_identity and max_evalue and search on the remaining criteria.',
|
|
75
|
+
},
|
|
52
76
|
{
|
|
53
77
|
reason: 'duplicate_dimension',
|
|
54
78
|
code: JsonRpcErrorCode.InvalidParams,
|
|
@@ -83,12 +107,12 @@ export const searchStructures = tool('protein_search_structures', {
|
|
|
83
107
|
.min(0)
|
|
84
108
|
.max(1)
|
|
85
109
|
.optional()
|
|
86
|
-
.describe('Minimum sequence identity (0–1) for a sequence search. Default 0.'),
|
|
110
|
+
.describe('Minimum sequence identity (0–1) for a sequence search. Requires sequence — supplying it without one is rejected, since the threshold would never reach RCSB. Default 0.'),
|
|
87
111
|
max_evalue: z
|
|
88
112
|
.number()
|
|
89
113
|
.positive()
|
|
90
114
|
.optional()
|
|
91
|
-
.describe('Maximum E-value for a sequence search. Default 1.'),
|
|
115
|
+
.describe('Maximum E-value for a sequence search. Requires sequence — supplying it without one is rejected, since the threshold would never reach RCSB. Default 1.'),
|
|
92
116
|
content_type: z
|
|
93
117
|
.enum(['experimental', 'predicted', 'all'])
|
|
94
118
|
.default('all')
|
|
@@ -166,6 +190,18 @@ export const searchStructures = tool('protein_search_structures', {
|
|
|
166
190
|
...ctx.recoveryFor('no_criteria'),
|
|
167
191
|
});
|
|
168
192
|
}
|
|
193
|
+
// buildQuery() reads these two only inside its sequence branch, so without a
|
|
194
|
+
// sequence they never reach RCSB and the response looks like a filtered search
|
|
195
|
+
// that was never filtered. Rejected here rather than in the schema so the
|
|
196
|
+
// caller gets a data.reason and the declared recovery hint alongside -32602.
|
|
197
|
+
const sequenceModifiers = [
|
|
198
|
+
typeof input.min_identity === 'number' ? 'min_identity' : undefined,
|
|
199
|
+
typeof input.max_evalue === 'number' ? 'max_evalue' : undefined,
|
|
200
|
+
].filter((name) => name !== undefined);
|
|
201
|
+
if (!input.sequence && sequenceModifiers.length > 0) {
|
|
202
|
+
const many = sequenceModifiers.length > 1;
|
|
203
|
+
throw ctx.fail('sequence_modifier_without_sequence', `${sequenceModifiers.join(' and ')} ${many ? 'are sequence-search thresholds' : 'is a sequence-search threshold'}, but this request has no sequence — ${many ? 'they' : 'it'} would never reach RCSB.`, { ...ctx.recoveryFor('sequence_modifier_without_sequence') });
|
|
204
|
+
}
|
|
169
205
|
// RCSB collapses two identically-named facet requests into one raw facet, and
|
|
170
206
|
// the attribute-keyed lookup maps both specs back onto it — a repeated
|
|
171
207
|
// dimension would return the same breakdown twice and double-count on any sum.
|
|
@@ -207,13 +243,17 @@ export const searchStructures = tool('protein_search_structures', {
|
|
|
207
243
|
});
|
|
208
244
|
if (input.query)
|
|
209
245
|
ctx.enrich.echo(input.query);
|
|
210
|
-
// `notice` is a single last-wins field, so the zero-hit advice
|
|
211
|
-
// fragment per under-covered facet dimension compose into ONE string.
|
|
246
|
+
// `notice` is a single last-wins field, so the zero-hit advice, the capped-facet
|
|
247
|
+
// advice, and one fragment per under-covered facet dimension compose into ONE string.
|
|
212
248
|
const notices = [];
|
|
213
249
|
if (hits.length === 0)
|
|
214
250
|
notices.push(ZERO_HIT_NOTICE[input.content_type]);
|
|
215
|
-
if (facets)
|
|
251
|
+
if (facets) {
|
|
252
|
+
const capped = facets.filter((f) => f.truncated).map((f) => f.dimension);
|
|
253
|
+
if (capped.length > 0)
|
|
254
|
+
notices.push(truncationNotice(capped, cfg.facetBucketCap, Boolean(input.sequence)));
|
|
216
255
|
notices.push(...coverageNotices(facets, result.total));
|
|
256
|
+
}
|
|
217
257
|
if (notices.length > 0)
|
|
218
258
|
ctx.enrich.notice(notices.join(' '));
|
|
219
259
|
return { hits, ...(facets ? { facets } : {}) };
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"search-structures.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-structures.tool.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,eAAe,EAAE,MAAM,2BAA2B,CAAC;AAC5D,OAAO,EAAE,cAAc,EAAE,qBAAqB,EAAE,MAAM,2BAA2B,CAAC;AAClF,OAAO,EAAE,cAAc,EAAE,MAAM,iCAAiC,CAAC;AAEjE,OAAO,EAAE,SAAS,EAAE,MAAM,kCAAkC,CAAC;AAC7D,OAAO,EACL,mBAAmB,EACnB,eAAe,EACf,wBAAwB,EACxB,YAAY,EACZ,aAAa,GACd,MAAM,eAAe,CAAC;AAEvB;;;;GAIG;AACH,MAAM,eAAe,GAAG;IACtB,YAAY,EACV,iIAAiI;IACnI,SAAS,EACP,uJAAuJ;IACzJ,GAAG,EAAE,kKAAkK;CACzG,CAAC;AAEjE,2FAA2F;AAC3F,SAAS,aAAa,CAAC,EAAU;IAC/B,OAAO,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;AAC/B,CAAC;AAED,6GAA6G;AAC7G,SAAS,gBAAgB,CAAC,EAAU;IAClC,OAAO,yBAAyB,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,WAAW,EAAE,CAAC;AAChE,CAAC;AAED,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,2BAA2B,EAAE;IAChE,KAAK,EAAE,uCAAuC;IAC9C,WAAW,EACT,4FAA4F;QAC5F,yFAAyF;QACzF,iGAAiG;QACjG,iGAAiG;QACjG,kGAAkG;QAClG,mGAAmG;QACnG,mGAAmG;QACnG,qGAAqG;QACrG,uEAAuE;IACzE,WAAW,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,aAAa,EAAE,IAAI,EAAE;IAExD,MAAM,EAAE;QACN;YACE,MAAM,EAAE,aAAa;YACrB,IAAI,EAAE,gBAAgB,CAAC,aAAa;YACpC,IAAI,EAAE,kGAAkG;YACxG,QAAQ,EACN,yGAAyG;SAC5G;QACD;YACE,MAAM,EAAE,qBAAqB;YAC7B,IAAI,EAAE,gBAAgB,CAAC,aAAa;YACpC,IAAI,EAAE,iFAAiF;YACvF,QAAQ,EAAE,8EAA8E;SACzF;KACF;IAED,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,KAAK,EAAE,CAAC;aACL,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,iEAAiE,CAAC;QAC9E,QAAQ,EAAE,CAAC;aACR,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,sFAAsF,CACvF;QACH,QAAQ,EAAE,CAAC;aACR,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,kEAAkE,CAAC;QAC/E,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,kFAAkF,CAAC;QAC/F,cAAc,EAAE,CAAC;aACd,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,EAAE;aACV,QAAQ,CAAC,iFAAiF,CAAC;QAC9F,YAAY,EAAE,CAAC;aACZ,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,CAAC,CAAC;aACN,QAAQ,EAAE;aACV,QAAQ,CAAC,mEAAmE,CAAC;QAChF,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,EAAE;aACV,QAAQ,CAAC,mDAAmD,CAAC;QAChE,YAAY,EAAE,CAAC;aACZ,IAAI,CAAC,CAAC,cAAc,EAAE,WAAW,EAAE,KAAK,CAAC,CAAC;aAC1C,OAAO,CAAC,KAAK,CAAC;aACd,QAAQ,CACP,8FAA8F,CAC/F;QACH,MAAM,EAAE,CAAC;aACN,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,qBAAqB,CAAC,CAAC;aACpC,QAAQ,EAAE;aACV,QAAQ,CACP,mIAAmI,CACpI;QACH,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,OAAO,CAAC,EAAE,CAAC,CAAC,QAAQ,CAAC,iCAAiC,CAAC;QAC/F,KAAK,EAAE,CAAC;aACL,MAAM,EAAE;aACR,GAAG,EAAE;aACL,GAAG,CAAC,CAAC,CAAC;aACN,OAAO,CAAC,CAAC,CAAC;aACV,QAAQ,CAAC,uEAAuE,CAAC;KACrF,CAAC;IAEF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,IAAI,EAAE,CAAC;aACJ,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,EAAE,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,2DAA2D,CAAC;YACpF,QAAQ,EAAE,CAAC;iBACR,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CACP,kGAAkG,CACnG;YACH,MAAM,EAAE,CAAC;iBACN,IAAI,CAAC,CAAC,cAAc,EAAE,WAAW,CAAC,CAAC;iBACnC,QAAQ,CAAC,mCAAmC,CAAC;YAChD,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,uBAAuB,CAAC;YAC9D,gBAAgB,EAAE,CAAC;iBAChB,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,oEAAoE,CAAC;YACjF,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,+CAA+C,CAAC;YACtF,MAAM,EAAE,CAAC;iBACN,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,sDAAsD,CAAC;YACnE,UAAU,EAAE,CAAC;iBACV,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,+CAA+C,CAAC;YAC5D,QAAQ,EAAE,CAAC;iBACR,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,uDAAuD,CAAC;SACrE,CAAC;aACD,QAAQ,CAAC,2DAA2D,CAAC,CACzE;aACA,QAAQ,CAAC,wBAAwB,CAAC;QACrC,MAAM,EAAE,CAAC;aACN,KAAK,CAAC,wBAAwB,CAAC;aAC/B,QAAQ,EAAE;aACV,QAAQ,CACP,4KAA4K,CAC7K;KACJ,CAAC;IAEF,UAAU,EAAE;QACV,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,2CAA2C,CAAC;QAC5E,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,yCAAyC,CAAC;QACrE,SAAS,EAAE,CAAC;aACT,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CAAC,iEAAiE,CAAC;QAC9E,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;QACxF,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,6LAA6L,CAC9L;KACJ;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,IACE,CAAC,KAAK,CAAC,KAAK;YACZ,CAAC,KAAK,CAAC,QAAQ;YACf,CAAC,KAAK,CAAC,QAAQ;YACf,CAAC,KAAK,CAAC,MAAM;YACb,OAAO,KAAK,CAAC,cAAc,KAAK,QAAQ,EACxC,CAAC;YACD,MAAM,GAAG,CAAC,IAAI,CACZ,aAAa,EACb,kFAAkF,EAClF;gBACE,GAAG,GAAG,CAAC,WAAW,CAAC,aAAa,CAAC;aAClC,CACF,CAAC;QACJ,CAAC;QACD,8EAA8E;QAC9E,uEAAuE;QACvE,+EAA+E;QAC/E,MAAM,SAAS,GAAG,KAAK,CAAC,MAAM,EAAE,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC;QAC1E,IAAI,SAAS;YACX,MAAM,GAAG,CAAC,IAAI,CACZ,qBAAqB,EACrB,iBAAiB,SAAS,sDAAsD,EAChF,EAAE,GAAG,GAAG,CAAC,WAAW,CAAC,qBAAqB,CAAC,EAAE,CAC9C,CAAC;QACJ,MAAM,GAAG,GAAG,eAAe,EAAE,CAAC;QAC9B,MAAM,IAAI,GAAG,cAAc,EAAE,CAAC;QAC9B,MAAM,UAAU,GAAG,KAAK,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,cAAc,CAAC,CAAC,CAAC,CAAC,CAAC;QAE/D,MAAM,MAAM,GAAG,MAAM,IAAI,CAAC,MAAM,CAC9B;YACE,GAAG,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,EAAE,KAAK,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;YAC7C,GAAG,CAAC,KAAK,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,QAAQ,EAAE,KAA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AAC,EAAE,CAAC;KACzF,CAAC;AACJ,CAAC"}
|
|
1
|
+
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@@ -45,6 +45,25 @@ export declare const FACET_DIMENSIONS: {
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45
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export type FacetDimensionName = keyof typeof FACET_DIMENSIONS;
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46
46
|
/** All supported dimension names (for Zod enums). */
|
|
47
47
|
export declare const FACET_DIMENSION_NAMES: [FacetDimensionName, ...FacetDimensionName[]];
|
|
48
|
-
/**
|
|
48
|
+
/** The histogram / date-histogram dimensions, in enum order — the set an `interval` can reach. */
|
|
49
|
+
export declare const INTERVAL_DIMENSION_NAMES: ("method" | "molecular_weight" | "organism" | "polymer_type" | "release_year" | "resolution")[];
|
|
50
|
+
/**
|
|
51
|
+
* Which requested dimension can consume an `interval` override, or `undefined`
|
|
52
|
+
* when neither can. Compatibility is by value type rather than merely "not
|
|
53
|
+
* terms": a numeric bin width belongs to a `histogram` dimension, the `year`
|
|
54
|
+
* period to a `date_histogram` one. The primary position wins when both could
|
|
55
|
+
* take it, so an ambiguous override lands where the caller can predict.
|
|
56
|
+
*/
|
|
57
|
+
export declare function intervalTarget(interval: number | string, dimension: FacetDimensionName, child?: FacetDimensionName): FacetDimensionName | undefined;
|
|
58
|
+
/**
|
|
59
|
+
* Build a {@link FacetSpec} for a dimension, with an optional interval override
|
|
60
|
+
* and nested child. The override reaches whichever of the two positions can
|
|
61
|
+
* consume it ({@link intervalTarget}) — RCSB honours a per-position `interval`
|
|
62
|
+
* on a nested facet, so a histogram child is not stuck on its default just
|
|
63
|
+
* because the parent aggregates by terms. The position that cannot consume it
|
|
64
|
+
* keeps its own default, and an override no position accepts is dropped rather
|
|
65
|
+
* than sent upstream; callers that must reject that case ask
|
|
66
|
+
* {@link intervalTarget} first.
|
|
67
|
+
*/
|
|
49
68
|
export declare function buildFacetSpec(dimension: FacetDimensionName, interval?: number | string, child?: FacetDimensionName): FacetSpec;
|
|
50
69
|
//# sourceMappingURL=facets.d.ts.map
|
|
@@ -1 +1 @@
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|
|
1
|
-
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|
|
1
|
+
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|