@cyanheads/protein-mcp-server 0.2.1 → 0.3.1
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 +3 -2
- package/CLAUDE.md +3 -2
- package/README.md +21 -2
- package/changelog/0.3.x/0.3.0.md +20 -0
- package/changelog/0.3.x/0.3.1.md +16 -0
- package/dist/mcp-server/tools/definitions/_schemas.d.ts +10 -0
- package/dist/mcp-server/tools/definitions/_schemas.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/_schemas.js +19 -0
- package/dist/mcp-server/tools/definitions/_schemas.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.d.ts +22 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-annotations.tool.js +114 -4
- package/dist/mcp-server/tools/definitions/get-annotations.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts +9 -0
- package/dist/mcp-server/tools/definitions/get-structure.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-structure.tool.js +72 -13
- package/dist/mcp-server/tools/definitions/get-structure.tool.js.map +1 -1
- package/dist/services/rcsb/rcsb-service.d.ts +9 -3
- package/dist/services/rcsb/rcsb-service.d.ts.map +1 -1
- package/dist/services/rcsb/rcsb-service.js +24 -11
- package/dist/services/rcsb/rcsb-service.js.map +1 -1
- package/dist/services/rcsb/types.d.ts +9 -0
- package/dist/services/rcsb/types.d.ts.map +1 -1
- package/dist/services/shared/attribution.d.ts +42 -0
- package/dist/services/shared/attribution.d.ts.map +1 -0
- package/dist/services/shared/attribution.js +111 -0
- package/dist/services/shared/attribution.js.map +1 -0
- package/package.json +1 -1
- package/server.json +3 -3
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@@ -4,6 +4,7 @@
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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 it returns a
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* per-structure section outline for targeted re-call instead of truncating.
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* Carries upstream data 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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@@ -14,8 +15,10 @@ import { getAlphaFoldService } from '../../../services/alphafold/alphafold-servi
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import { getBeaconsService } from '../../../services/beacons/beacons-service.js';
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import { getRcsbService } from '../../../services/rcsb/rcsb-service.js';
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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 { isPdbId, isUniProtAccession } from '../../../services/shared/identifiers.js';
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import { attributionSchema, 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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@@ -37,7 +40,18 @@ const structureRecordSchema = z
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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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provider: z.string().optional().describe('Model provider (predicted / best_available).'),
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-
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confidence: z
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.number()
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.optional()
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.describe('Model confidence on its native scale; confidenceType names the metric and range (e.g. pLDDT 0–100, QMEANDisCo 0–1). Present for predicted models that report a score.'),
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confidenceType: z
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.string()
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.optional()
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.describe('Name of the confidence metric carried in confidence (e.g. "pLDDT", "QMEANDisCo"). Providers score on different scales; this names the one in use.'),
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meanPlddt: z
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.number()
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.optional()
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.describe('Mean pLDDT confidence (0–100); present only for pLDDT-scored models. For other metrics read confidence + confidenceType.'),
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confidenceBuckets: confidenceBucketsSchema
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.optional()
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.describe('pLDDT confidence-band fractions (predicted).'),
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@@ -66,10 +80,12 @@ export const getStructure = tool('protein_get_structure', {
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title: 'protein-mcp-server: get structure',
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description: 'Fetch structures with metadata and coordinate-file URLs. source "experimental" takes PDB entry IDs ' +
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'(batched in one call); "predicted" takes UniProt accessions (AlphaFold, with pLDDT/PAE confidence); ' +
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'"best_available" takes UniProt accessions and returns the top federated model
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'
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'
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'
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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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annotations: { readOnlyHint: true, openWorldHint: true },
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errors: [
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{
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@@ -115,6 +131,9 @@ export const getStructure = tool('protein_get_structure', {
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})
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.describe('A requested ID that did not resolve, with the reason.'))
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.describe('IDs that could not be resolved (partial success).'),
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attribution: z
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.array(attributionSchema)
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.describe('Upstream data-source licenses and citations for every source present in structures[] — RCSB PDB for experimental records, AlphaFold DB for predicted. Always present — the attribution obligation travels with the data.'),
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overflow: z
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.object({
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sections: z
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if (failed.length > 0) {
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ctx.enrich.notice(`${failed.length} of ${ids.length} IDs did not resolve: ${failed.map((f) => f.id).join(', ')}.`);
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}
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-
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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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// models through 3D-Beacons (AlphaFold DB, SWISS-MODEL, BFVD, …), so a predicted
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// record's provider — not the binary source — determines the credit; an
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// uncurated provider falls back to an honest no-license entry. Crediting every
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// predicted model as AlphaFold would mis-attribute a SWISS-MODEL structure.
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const sources = new Set();
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for (const s of structures) {
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sources.add(s.source === 'experimental'
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? 'RCSB PDB'
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: (s.provider ?? '3D-Beacons (provider unspecified)'));
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}
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return {
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structures,
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failed,
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attribution: attributionsFor(sources),
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...(overflow ? { overflow } : {}),
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};
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},
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format: (result) => {
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const lines = [`## Structures (${result.structures.length})`];
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@@ -206,6 +243,9 @@ export const getStructure = tool('protein_get_structure', {
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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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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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: null,
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typeof s.meanPlddt === 'number' ? `**Mean pLDDT:** ${s.meanPlddt.toFixed(1)}` : null,
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].filter(Boolean);
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if (meta.length > 0)
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for (const s of result.overflow.sections)
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lines.push(`- ${s.id}: ${s.bytes} bytes`);
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}
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if (result.attribution.length > 0) {
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lines.push(`\n### Attribution`);
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lines.push(...renderAttribution(result.attribution));
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}
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return [{ type: 'text', text: lines.join('\n') }];
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},
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});
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return null;
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const isExperimental = /experimentally/i.test(best.modelCategory ?? '');
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// For an experimental pick the federated id is the chosen PDB entry; surface it
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// explicitly so the agent can cite the structure,
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//
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//
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// explicitly so the agent can cite the structure, fetch its title for parity with
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// source "experimental", and emit the full cif/pdb/bcif set from RCSB (matching
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// fetchExperimental) instead of the single beacon modelUrl. The title is
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// best-effort — a failed lookup must not drop the structure the agent already has.
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const rcsb = getRcsbService();
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let pdbId;
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let title;
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if (isExperimental && best.modelIdentifier) {
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pdbId = best.modelIdentifier.toUpperCase();
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const entries = await
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.getEntries([pdbId], ctx)
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.catch(() => []);
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const entries = await rcsb.getEntries([pdbId], ctx).catch(() => []);
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title = entries[0]?.title;
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}
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return {
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...(best.provider ? { provider: best.provider } : {}),
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...(typeof best.resolution === 'number' ? { resolution: best.resolution } : {}),
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...(best.experimentalMethod ? { method: best.experimentalMethod } : {}),
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...(best.confidenceType ? { confidenceType: best.confidenceType } : {}),
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...(typeof best.confidenceAvgLocalScore === 'number'
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? { confidence: best.confidenceAvgLocalScore }
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: {}),
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// meanPlddt is pLDDT-only (0–100); never surface another provider's metric
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// (e.g. QMEANDisCo, 0–1) under it. Non-pLDDT scores stay in confidence.
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...(typeof best.confidenceAvgLocalScore === 'number' &&
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best.confidenceType?.toLowerCase() === 'plddt'
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? { meanPlddt: best.confidenceAvgLocalScore }
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: {}),
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coordinateUrls:
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coordinateUrls: pdbId
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? {
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cif: rcsb.coordinateFileUrl(pdbId, 'cif'),
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pdb: rcsb.coordinateFileUrl(pdbId, 'pdb'),
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bcif: rcsb.coordinateFileUrl(pdbId, 'bcif'),
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}
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: best.modelUrl
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? coordinateUrlFor(best.modelUrl)
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: {},
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};
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}
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/** Slot a single federated model URL into the right format key. */
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-
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1
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+
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@@ -11,7 +11,7 @@ import type { Context } from '@cyanheads/mcp-ts-core';
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11
11
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import type { AppConfig } from '@cyanheads/mcp-ts-core/config';
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12
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import type { StorageService } from '@cyanheads/mcp-ts-core/storage';
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13
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import type { ServerConfig } from '../../config/server-config.js';
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14
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-
import type { BindingSite, ChemComp, ContentType, EntryMeta, FacetDimension, SearchResult, StructureSearchParams } from './types.js';
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14
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+
import type { BindingSite, ChemComp, ContentType, EntryMeta, FacetDimension, SearchResult, StructureSearchParams, UniProtXref } from './types.js';
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15
15
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/** RCSB return types relevant to this server. */
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16
16
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export type ReturnType = 'entry' | 'polymer_entity' | 'mol_definition';
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17
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/** A facet dimension request: friendly name + how RCSB should aggregate it. */
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@@ -56,8 +56,14 @@ export declare class RcsbService {
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56
56
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}>;
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57
57
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/** Batched entry metadata for up to N PDB IDs in one GraphQL call. */
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58
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getEntries(ids: string[], ctx: Context): Promise<EntryMeta[]>;
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59
|
-
/**
|
|
60
|
-
|
|
59
|
+
/**
|
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60
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+
* Resolve a PDB entry to its UniProt-cross-referenced polymer entities. Each
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61
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+
* returned entry carries the author chain IDs it covers, the mapped UniProt
|
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62
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+
* accession, and the polymer description — entity-grained so a caller can
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63
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+
* disambiguate a multi-chain entry by chain. One entry per polymer entity that
|
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64
|
+
* carries a UniProt xref; entities without one are skipped. Single round trip.
|
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65
|
+
*/
|
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66
|
+
resolveUniprotEntities(pdbId: string, ctx: Context): Promise<UniProtXref[]>;
|
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61
67
|
/** First polymer entity's one-letter sequence for a PDB entry. */
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|
62
68
|
getSequence(pdbId: string, ctx: Context): Promise<{
|
|
63
69
|
entityId: string;
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@@ -1 +1 @@
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|
1
|
-
{"version":3,"file":"rcsb-service.d.ts","sourceRoot":"","sources":["../../../src/services/rcsb/rcsb-service.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AACtD,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,+BAA+B,CAAC;AAE/D,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,gCAAgC,CAAC;AACrE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AAE9D,OAAO,KAAK,EAEV,WAAW,EACX,QAAQ,EACR,WAAW,EACX,SAAS,EAET,cAAc,EAId,YAAY,EACZ,qBAAqB,
|
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1
|
+
{"version":3,"file":"rcsb-service.d.ts","sourceRoot":"","sources":["../../../src/services/rcsb/rcsb-service.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AACtD,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,+BAA+B,CAAC;AAE/D,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,gCAAgC,CAAC;AACrE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AAE9D,OAAO,KAAK,EAEV,WAAW,EACX,QAAQ,EACR,WAAW,EACX,SAAS,EAET,cAAc,EAId,YAAY,EACZ,qBAAqB,EACrB,WAAW,EACZ,MAAM,YAAY,CAAC;AAEpB,iDAAiD;AACjD,MAAM,MAAM,UAAU,GAAG,OAAO,GAAG,gBAAgB,GAAG,gBAAgB,CAAC;AAEvE,+EAA+E;AAC/E,MAAM,WAAW,SAAS;IACxB,wBAAwB;IACxB,WAAW,EAAE,OAAO,GAAG,WAAW,GAAG,gBAAgB,CAAC;IACtD,mCAAmC;IACnC,SAAS,EAAE,MAAM,CAAC;IAClB,iDAAiD;IACjD,KAAK,CAAC,EAAE,SAAS,CAAC;IAClB,qDAAqD;IACrD,SAAS,EAAE,MAAM,CAAC;IAClB,gGAAgG;IAChG,QAAQ,CAAC,EAAE,MAAM,GAAG,MAAM,CAAC;CAC5B;AA6BD,qBAAa,WAAW;IACtB,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAS;IACnC,OAAO,CAAC,QAAQ,CAAC,UAAU,CAAS;IACpC,OAAO,CAAC,QAAQ,CAAC,YAAY,CAAS;IACtC,OAAO,CAAC,QAAQ,CAAC,SAAS,CAAS;gBAEvB,OAAO,EAAE,SAAS,EAAE,QAAQ,EAAE,cAAc,EAAE,YAAY,EAAE,YAAY;IASpF,gFAAgF;IAC1E,MAAM,CACV,MAAM,EAAE,qBAAqB,EAC7B,GAAG,EAAE,OAAO,EACZ,MAAM,CAAC,EAAE,SAAS,EAAE,GACnB,OAAO,CAAC,YAAY,CAAC;IAqBxB,uEAAuE;IACjE,cAAc,CAClB,QAAQ,EAAE,MAAM,EAChB,IAAI,EAAE;QAAE,SAAS,CAAC,EAAE,MAAM,CAAC;QAAC,WAAW,CAAC,EAAE,MAAM,CAAC;QAAC,KAAK,CAAC,EAAE,MAAM,CAAC;QAAC,WAAW,CAAC,EAAE,WAAW,CAAA;KAAE,EAC7F,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,YAAY,CAAC;IAuBxB,4EAA4E;IACtE,cAAc,CAClB,MAAM,EAAE,MAAM,EACd,IAAI,EAAE;QAAE,KAAK,CAAC,EAAE,MAAM,CAAC;QAAC,WAAW,CAAC,EAAE,WAAW,CAAA;KAAE,EACnD,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,YAAY,CAAC;IAqBxB,yEAAyE;IACnE,aAAa,CAAC,KAAK,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAuBlF,2EAA2E;IACrE,aAAa,CACjB,MAAM,EAAE,qBAAqB,EAC7B,MAAM,EAAE,SAAS,EAAE,EACnB,GAAG,EAAE,OAAO,GACX,OAAO,CAAC;QAAE,KAAK,EAAE,MAAM,CAAC;QAAC,MAAM,EAAE,cAAc,EAAE,CAAA;KAAE,CAAC;IAgBvD,sEAAsE;IAChE,UAAU,CAAC,GAAG,EAAE,MAAM,EAAE,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,SAAS,EAAE,CAAC;IAWnE;;;;;;OAMG;IACG,sBAAsB,CAAC,KAAK,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,WAAW,EAAE,CAAC;IAyBjF,kEAAkE;IAC5D,WAAW,CACf,KAAK,EAAE,MAAM,EACb,GAAG,EAAE,OAAO,GACX,OAAO,CAAC;QAAE,QAAQ,EAAE,MAAM,CAAC;QAAC,QAAQ,EAAE,MAAM,CAAA;KAAE,GAAG,IAAI,CAAC;IAezD,oFAAoF;IAC9E,eAAe,CACnB,KAAK,EAAE,MAAM,EACb,MAAM,EAAE,MAAM,GAAG,SAAS,EAC1B,GAAG,EAAE,OAAO,GACX,OAAO,CAAC,WAAW,EAAE,CAAC;IAmCzB,uEAAuE;IACjE,WAAW,CAAC,MAAM,EAAE,MAAM,EAAE,GAAG,EAAE,OAAO,GAAG,OAAO,CAAC,QAAQ,GAAG,IAAI,CAAC;IAsBzE,gEAAgE;IAChE,iBAAiB,CAAC,KAAK,EAAE,MAAM,EAAE,MAAM,EAAE,KAAK,GAAG,KAAK,GAAG,MAAM,GAAG,MAAM;IAMxE,OAAO,CAAC,UAAU;YAeJ,OAAO;CAwBtB;AAID,yFAAyF;AACzF,wBAAgB,UAAU,CAAC,MAAM,EAAE,qBAAqB,GAAG,OAAO,CAqCjE;AAWD,sFAAsF;AACtF,wBAAgB,WAAW,CAAC,IAAI,EAAE,SAAS,GAAG,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,CAUpE;AA+PD,wBAAgB,eAAe,CAC7B,MAAM,EAAE,SAAS,EACjB,OAAO,EAAE,cAAc,EACvB,YAAY,EAAE,YAAY,GACzB,IAAI,CAEN;AAED,wBAAgB,cAAc,IAAI,WAAW,CAG5C"}
|
|
@@ -137,19 +137,30 @@ export class RcsbService {
|
|
|
137
137
|
const data = await this.graphql(ENTRIES_QUERY, { ids: ids.map((id) => id.toUpperCase()) }, ctx, 'RcsbService.getEntries');
|
|
138
138
|
return (data.entries ?? []).filter((e) => e != null).map(normalizeEntry);
|
|
139
139
|
}
|
|
140
|
-
/**
|
|
141
|
-
|
|
142
|
-
|
|
143
|
-
|
|
140
|
+
/**
|
|
141
|
+
* Resolve a PDB entry to its UniProt-cross-referenced polymer entities. Each
|
|
142
|
+
* returned entry carries the author chain IDs it covers, the mapped UniProt
|
|
143
|
+
* accession, and the polymer description — entity-grained so a caller can
|
|
144
|
+
* disambiguate a multi-chain entry by chain. One entry per polymer entity that
|
|
145
|
+
* carries a UniProt xref; entities without one are skipped. Single round trip.
|
|
146
|
+
*/
|
|
147
|
+
async resolveUniprotEntities(pdbId, ctx) {
|
|
148
|
+
const data = await this.graphql(XREF_QUERY, { id: pdbId.toUpperCase() }, ctx, 'RcsbService.resolveUniprotEntities');
|
|
149
|
+
const xrefs = [];
|
|
144
150
|
for (const entity of data.entry?.polymer_entities ?? []) {
|
|
145
|
-
|
|
146
|
-
|
|
147
|
-
|
|
148
|
-
|
|
149
|
-
|
|
150
|
-
|
|
151
|
+
const container = entity.rcsb_polymer_entity_container_identifiers;
|
|
152
|
+
const accession = container?.reference_sequence_identifiers?.find((ref) => /uniprot/i.test(ref.database_name ?? '') && ref.database_accession)?.database_accession;
|
|
153
|
+
if (!accession)
|
|
154
|
+
continue;
|
|
155
|
+
xrefs.push({
|
|
156
|
+
accession: accession.toUpperCase(),
|
|
157
|
+
chains: container?.auth_asym_ids ?? [],
|
|
158
|
+
...(entity.rcsb_polymer_entity?.pdbx_description
|
|
159
|
+
? { proteinName: entity.rcsb_polymer_entity.pdbx_description }
|
|
160
|
+
: {}),
|
|
161
|
+
});
|
|
151
162
|
}
|
|
152
|
-
return
|
|
163
|
+
return xrefs;
|
|
153
164
|
}
|
|
154
165
|
/** First polymer entity's one-letter sequence for a PDB entry. */
|
|
155
166
|
async getSequence(pdbId, ctx) {
|
|
@@ -439,7 +450,9 @@ const ENTRIES_QUERY = `query Entries($ids: [String!]!) {
|
|
|
439
450
|
const XREF_QUERY = `query Xref($id: String!) {
|
|
440
451
|
entry(entry_id: $id) {
|
|
441
452
|
polymer_entities {
|
|
453
|
+
rcsb_polymer_entity { pdbx_description }
|
|
442
454
|
rcsb_polymer_entity_container_identifiers {
|
|
455
|
+
auth_asym_ids
|
|
443
456
|
reference_sequence_identifiers { database_accession database_name }
|
|
444
457
|
}
|
|
445
458
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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@@ -55,6 +55,15 @@ export interface PolymerEntityMeta {
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/** Residue count of the sample sequence. */
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sequenceLength?: number;
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}
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+
/** One polymer entity's UniProt cross-reference: the chains it covers and the mapped accession. */
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59
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+
export interface UniProtXref {
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60
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+
/** UniProt accession this entity maps to. */
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accession: string;
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/** Author chain IDs (auth_asym_id) this entity covers (e.g. ["A", "C"]). */
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+
chains: string[];
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+
/** Polymer entity description (e.g. "Hemoglobin subunit alpha"). */
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65
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proteinName?: string;
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}
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/** A bound non-polymer (ligand) component within an entry. */
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export interface LigandMeta {
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/** Chemical component ID (e.g. `HEM`, `STI`). */
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["../../../src/services/rcsb/types.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,sDAAsD;AACtD,MAAM,WAAW,SAAS;IACxB,qFAAqF;IACrF,EAAE,EAAE,MAAM,CAAC;IACX,4BAA4B;IAC5B,KAAK,EAAE,MAAM,CAAC;CACf;AAED,sFAAsF;AACtF,MAAM,WAAW,WAAW;IAC1B,yDAAyD;IACzD,QAAQ,CAAC,EAAE,cAAc,EAAE,CAAC;IAC5B,sCAAsC;IACtC,KAAK,EAAE,MAAM,CAAC;IACd,mEAAmE;IACnE,KAAK,EAAE,MAAM,CAAC;CACf;AAED,yCAAyC;AACzC,MAAM,WAAW,cAAc;IAC7B,uDAAuD;IACvD,SAAS,EAAE,MAAM,CAAC;IAClB,yFAAyF;IACzF,OAAO,EAAE,WAAW,EAAE,CAAC;IACvB,2EAA2E;IAC3E,SAAS,EAAE,MAAM,CAAC;IAClB,gEAAgE;IAChE,SAAS,CAAC,EAAE,OAAO,CAAC;CACrB;AAED,oCAAoC;AACpC,MAAM,WAAW,YAAY;IAC3B,+CAA+C;IAC/C,MAAM,CAAC,EAAE,cAAc,EAAE,CAAC;IAC1B,gCAAgC;IAChC,IAAI,EAAE,SAAS,EAAE,CAAC;IAClB,kDAAkD;IAClD,KAAK,EAAE,MAAM,CAAC;CACf;AAED,kEAAkE;AAClE,MAAM,WAAW,iBAAiB;IAChC,iDAAiD;IACjD,MAAM,CAAC,EAAE,MAAM,EAAE,CAAC;IAClB,+DAA+D;IAC/D,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,yCAAyC;IACzC,QAAQ,EAAE,MAAM,CAAC;IACjB,uCAAuC;IACvC,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,8EAA8E;IAC9E,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,4CAA4C;IAC5C,cAAc,CAAC,EAAE,MAAM,CAAC;CACzB;AAED,8DAA8D;AAC9D,MAAM,WAAW,UAAU;IACzB,iDAAiD;IACjD,MAAM,EAAE,MAAM,CAAC;IACf,wCAAwC;IACxC,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,oCAAoC;IACpC,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,8DAA8D;AAC9D,MAAM,WAAW,SAAS;IACxB,oBAAoB;IACpB,EAAE,EAAE,MAAM,CAAC;IACX,4CAA4C;IAC5C,OAAO,EAAE,UAAU,EAAE,CAAC;IACtB,2DAA2D;IAC3D,OAAO,CAAC,EAAE,MAAM,EAAE,CAAC;IACnB,kDAAkD;IAClD,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,yDAAyD;IACzD,SAAS,EAAE,MAAM,EAAE,CAAC;IACpB,gCAAgC;IAChC,eAAe,EAAE,iBAAiB,EAAE,CAAC;IACrC,uCAAuC;IACvC,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,4CAA4C;IAC5C,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB,uBAAuB;IACvB,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,4DAA4D;AAC5D,MAAM,WAAW,cAAc;IAC7B,mDAAmD;IACnD,MAAM,EAAE,MAAM,CAAC;IACf,2CAA2C;IAC3C,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,kDAAkD;IAClD,aAAa,EAAE,MAAM,CAAC;IACtB,wCAAwC;IACxC,KAAK,CAAC,EAAE,MAAM,CAAC;CAChB;AAED,4DAA4D;AAC5D,MAAM,WAAW,WAAW;IAC1B,uCAAuC;IACvC,YAAY,CAAC,EAAE,MAAM,CAAC;IACtB,oCAAoC;IACpC,YAAY,EAAE,MAAM,CAAC;IACrB,mDAAmD;IACnD,QAAQ,EAAE,cAAc,EAAE,CAAC;CAC5B;AAED,gDAAgD;AAChD,MAAM,WAAW,QAAQ;IACvB,iCAAiC;IACjC,MAAM,EAAE,MAAM,CAAC;IACf,yBAAyB;IACzB,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,2BAA2B;IAC3B,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB,+BAA+B;IAC/B,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,qBAAqB;IACrB,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,sCAAsC;IACtC,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,2CAA2C;IAC3C,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,uCAAuC;AACvC,MAAM,MAAM,WAAW,GAAG,cAAc,GAAG,eAAe,CAAC;AAE3D,uEAAuE;AACvE,MAAM,WAAW,qBAAqB;IACpC,4BAA4B;IAC5B,WAAW,CAAC,EAAE,WAAW,CAAC;IAC1B,iBAAiB;IACjB,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,wCAAwC;IACxC,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB,+BAA+B;IAC/B,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB,6DAA6D;IAC7D,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB,4DAA4D;IAC5D,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,gDAAgD;IAChD,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,2DAA2D;IAC3D,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,mBAAmB;IACnB,KAAK,CAAC,EAAE,MAAM,CAAC;IACf,uBAAuB;IACvB,IAAI,CAAC,EAAE,MAAM,CAAC;CACf"}
|
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1
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+
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/**
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* @fileoverview Upstream data-source attribution — the license and citation each
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* contributing database asks to travel with its data. `protein_get_structure` and
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* `protein_get_annotations` project the sources that actually contributed to a
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* response into a deduped attribution array, so the obligation rides with the data
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* to every downstream consumer rather than living only in repo docs. Curated
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* strings are verified against each source's primary license/citation page.
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* `best_available` structures are federated through 3D-Beacons, an open set of
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* model providers (AlphaFold DB, SWISS-MODEL, BFVD, AlphaFill, …), so an uncurated
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* provider gets an honest fallback entry that asserts no license rather than a
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* fabricated one. Pure data + a projection helper; the Zod output schema and
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* renderer live in the tools' shared `_schemas.ts`.
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* @module services/shared/attribution
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*/
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/**
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* Curated data-source display names (verified license + citation), in canonical
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* render order. The structure sources come first (RCSB PDB, then the federated
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* predicted providers), followed by the annotation trio.
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*/
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export declare const CURATED_SOURCES: readonly ["RCSB PDB", "AlphaFold DB", "SWISS-MODEL", "BFVD", "UniProt", "InterPro", "GO"];
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/** A curated data-source display name with a verified license + citation. */
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export type CuratedSource = (typeof CURATED_SOURCES)[number];
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/** License, citation, and homepage for one contributing data source. */
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export interface Attribution {
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/** Primary-literature citation the source asks consumers to cite. */
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citation: string;
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/** Source homepage. */
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homepage: string;
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/** License the source's data is released under (e.g. "CC BY 4.0"). */
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license: string;
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/** Data-source display name (a curated name, or a federated provider string). */
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source: string;
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}
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/**
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* Project the source names that contributed to a response into a deduped
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* attribution array. Curated names render first in {@link CURATED_SOURCES} order;
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* any uncurated provider follows, alphabetized, each with an honest fallback entry.
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* The ordering is caller-insertion-independent, so an identical contributing set
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* always renders identically.
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*/
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export declare function attributionsFor(sources: Iterable<string>): Attribution[];
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//# sourceMappingURL=attribution.d.ts.map
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{"version":3,"file":"attribution.d.ts","sourceRoot":"","sources":["../../../src/services/shared/attribution.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH;;;;GAIG;AACH,eAAO,MAAM,eAAe,2FAQlB,CAAC;AAEX,6EAA6E;AAC7E,MAAM,MAAM,aAAa,GAAG,CAAC,OAAO,eAAe,CAAC,CAAC,MAAM,CAAC,CAAC;AAE7D,wEAAwE;AACxE,MAAM,WAAW,WAAW;IAC1B,qEAAqE;IACrE,QAAQ,EAAE,MAAM,CAAC;IACjB,uBAAuB;IACvB,QAAQ,EAAE,MAAM,CAAC;IACjB,sEAAsE;IACtE,OAAO,EAAE,MAAM,CAAC;IAChB,iFAAiF;IACjF,MAAM,EAAE,MAAM,CAAC;CAChB;AA8ED;;;;;;GAMG;AACH,wBAAgB,eAAe,CAAC,OAAO,EAAE,QAAQ,CAAC,MAAM,CAAC,GAAG,WAAW,EAAE,CAQxE"}
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@@ -0,0 +1,111 @@
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1
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+
/**
|
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2
|
+
* @fileoverview Upstream data-source attribution — the license and citation each
|
|
3
|
+
* contributing database asks to travel with its data. `protein_get_structure` and
|
|
4
|
+
* `protein_get_annotations` project the sources that actually contributed to a
|
|
5
|
+
* response into a deduped attribution array, so the obligation rides with the data
|
|
6
|
+
* to every downstream consumer rather than living only in repo docs. Curated
|
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7
|
+
* strings are verified against each source's primary license/citation page.
|
|
8
|
+
* `best_available` structures are federated through 3D-Beacons, an open set of
|
|
9
|
+
* model providers (AlphaFold DB, SWISS-MODEL, BFVD, AlphaFill, …), so an uncurated
|
|
10
|
+
* provider gets an honest fallback entry that asserts no license rather than a
|
|
11
|
+
* fabricated one. Pure data + a projection helper; the Zod output schema and
|
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12
|
+
* renderer live in the tools' shared `_schemas.ts`.
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13
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* @module services/shared/attribution
|
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14
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+
*/
|
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15
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+
/**
|
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16
|
+
* Curated data-source display names (verified license + citation), in canonical
|
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17
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+
* render order. The structure sources come first (RCSB PDB, then the federated
|
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18
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+
* predicted providers), followed by the annotation trio.
|
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19
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+
*/
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export const CURATED_SOURCES = [
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21
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'RCSB PDB',
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'AlphaFold DB',
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23
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'SWISS-MODEL',
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24
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'BFVD',
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25
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'UniProt',
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26
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'InterPro',
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'GO',
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28
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+
];
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/**
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* Canonical license + citation strings, keyed by source. Verified against each
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* source's primary license/citation page. CC BY / CC BY-SA sources require
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* attribution to travel with redistributed data; CC0 sources are citation-only
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* (attribution encouraged, not required) but carried here so the obligation is
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* legible either way. InterPro's own domain/family data is CC0 — the CC BY 4.0 GO
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* terms carried alongside it are a separate, independently-gated source.
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*/
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const ATTRIBUTIONS = {
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'RCSB PDB': {
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source: 'RCSB PDB',
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license: 'CC0 1.0 Universal',
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41
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citation: 'H.M. Berman et al., "The Protein Data Bank," Nucleic Acids Research 28:235–242 (2000). DOI: 10.1093/nar/28.1.235',
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homepage: 'https://www.rcsb.org/',
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},
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44
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+
'AlphaFold DB': {
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source: 'AlphaFold DB',
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46
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license: 'CC BY 4.0',
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citation: 'Jumper et al., "Highly accurate protein structure prediction with AlphaFold," Nature 596:583–589 (2021). DOI: 10.1038/s41586-021-03819-2; Bertoni et al., "AlphaFold Protein Structure Database 2025: a redesigned interface and updated structural coverage," Nucleic Acids Research 54(D1):D358–D362 (2025). DOI: 10.1093/nar/gkaf1226',
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homepage: 'https://alphafold.ebi.ac.uk/',
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},
|
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50
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'SWISS-MODEL': {
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source: 'SWISS-MODEL',
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52
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license: 'CC BY-SA 4.0',
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citation: 'Waterhouse et al., "SWISS-MODEL: homology modelling of protein structures and complexes," Nucleic Acids Research 46(W1):W296–W303 (2018). DOI: 10.1093/nar/gky427; Bienert et al., "The SWISS-MODEL Repository—new features and functionality," Nucleic Acids Research 45(D1):D313–D319 (2017). DOI: 10.1093/nar/gkw1132',
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homepage: 'https://swissmodel.expasy.org/',
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},
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BFVD: {
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source: 'BFVD',
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58
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license: 'CC BY 4.0',
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citation: 'Kim et al., "BFVD—a large repository of predicted viral protein structures," Nucleic Acids Research 53(D1):D340–D347 (2025). DOI: 10.1093/nar/gkae1119',
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homepage: 'https://bfvd.steineggerlab.workers.dev/',
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61
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},
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UniProt: {
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source: 'UniProt',
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64
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license: 'CC BY 4.0',
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citation: 'The UniProt Consortium, "UniProt: the Universal Protein Knowledgebase in 2025," Nucleic Acids Research 53(D1):D609–D617 (2025). DOI: 10.1093/nar/gkae1010',
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homepage: 'https://www.uniprot.org/',
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},
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InterPro: {
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source: 'InterPro',
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70
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license: 'CC0 1.0 Universal',
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citation: 'Blum et al., "InterPro: the protein sequence classification resource in 2025," Nucleic Acids Research 53(D1):D444–D456 (2025). DOI: 10.1093/nar/gkae1082',
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homepage: 'https://www.ebi.ac.uk/interpro/',
|
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+
},
|
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+
GO: {
|
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75
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source: 'GO',
|
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76
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+
license: 'CC BY 4.0',
|
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77
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+
citation: 'Ashburner et al., "Gene Ontology: tool for the unification of biology," Nature Genetics 25:25–29 (2000). DOI: 10.1038/75556; Gene Ontology Consortium, "The Gene Ontology knowledgebase in 2026," Nucleic Acids Research 54(D1):D1779–D1792 (2026). DOI: 10.1093/nar/gkaf1292',
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homepage: 'https://geneontology.org/',
|
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+
},
|
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+
};
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|
+
const CURATED_NAMES = new Set(CURATED_SOURCES);
|
|
82
|
+
/**
|
|
83
|
+
* Honest fallback for an uncurated federated provider (AlphaFill, or any 3D-Beacons
|
|
84
|
+
* provider without a verified license entry). Asserts no license — better to point
|
|
85
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+
* the consumer at the provider's own terms than to fabricate one.
|
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+
*/
|
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+
function fallbackAttribution(source) {
|
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return {
|
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source,
|
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+
license: 'See provider terms',
|
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91
|
+
citation: 'Federated via 3D-Beacons — consult the provider for citation and license terms.',
|
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92
|
+
homepage: 'https://3d-beacons.org/',
|
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93
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+
};
|
|
94
|
+
}
|
|
95
|
+
/**
|
|
96
|
+
* Project the source names that contributed to a response into a deduped
|
|
97
|
+
* attribution array. Curated names render first in {@link CURATED_SOURCES} order;
|
|
98
|
+
* any uncurated provider follows, alphabetized, each with an honest fallback entry.
|
|
99
|
+
* The ordering is caller-insertion-independent, so an identical contributing set
|
|
100
|
+
* always renders identically.
|
|
101
|
+
*/
|
|
102
|
+
export function attributionsFor(sources) {
|
|
103
|
+
const wanted = new Set(sources);
|
|
104
|
+
const curated = CURATED_SOURCES.filter((s) => wanted.has(s)).map((s) => ATTRIBUTIONS[s]);
|
|
105
|
+
const uncurated = [...wanted]
|
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106
|
+
.filter((s) => !CURATED_NAMES.has(s))
|
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107
|
+
.sort()
|
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108
|
+
.map(fallbackAttribution);
|
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109
|
+
return [...curated, ...uncurated];
|
|
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|
+
}
|
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|
+
//# sourceMappingURL=attribution.js.map
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