@cyanheads/pubchem-mcp-server 0.4.1 → 0.4.3
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/Dockerfile +11 -7
- package/LICENSE +1 -1
- package/README.md +1 -1
- package/dist/mcp-server/resources/definitions/assay.resource.d.ts.map +1 -1
- package/dist/mcp-server/resources/definitions/assay.resource.js +1 -1
- package/dist/mcp-server/resources/definitions/assay.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/compound-bioactivity.resource.js +1 -1
- package/dist/mcp-server/resources/definitions/compound-bioactivity.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/compound-image.resource.js +1 -1
- package/dist/mcp-server/resources/definitions/compound-image.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/compound-safety.resource.d.ts.map +1 -1
- package/dist/mcp-server/resources/definitions/compound-safety.resource.js +13 -9
- package/dist/mcp-server/resources/definitions/compound-safety.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/compound-xrefs.resource.js +1 -1
- package/dist/mcp-server/resources/definitions/compound-xrefs.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/compound.resource.js +1 -1
- package/dist/mcp-server/resources/definitions/compound.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/index.d.ts +3 -3
- package/dist/mcp-server/resources/definitions/index.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.js +2 -2
- package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.js +24 -10
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-image.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.d.ts +0 -1
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.js +1 -6
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.d.ts +6 -0
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js +51 -22
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js +3 -3
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-summary.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-summary.tool.js +39 -9
- package/dist/mcp-server/tools/definitions/get-summary.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/index.d.ts +200 -195
- package/dist/mcp-server/tools/definitions/index.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-assays.tool.d.ts +2 -2
- package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts +6 -6
- package/dist/mcp-server/tools/definitions/search-compounds.tool.js.map +1 -1
- package/dist/services/pubchem/pubchem-client.d.ts +8 -2
- package/dist/services/pubchem/pubchem-client.d.ts.map +1 -1
- package/dist/services/pubchem/pubchem-client.js +90 -23
- package/dist/services/pubchem/pubchem-client.js.map +1 -1
- package/dist/services/pubchem/types.d.ts +24 -6
- package/dist/services/pubchem/types.d.ts.map +1 -1
- package/dist/services/pubchem/types.js.map +1 -1
- package/manifest.json +1 -1
- package/package.json +11 -10
- package/server.json +3 -3
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@@ -9,6 +9,11 @@ export declare const getCompoundSafety: import("@cyanheads/mcp-ts-core").ToolDef
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results: z.ZodArray<z.ZodObject<{
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cid: z.ZodNumber;
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hasData: z.ZodBoolean;
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status: z.ZodEnum<{
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cid_not_found: "cid_not_found";
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no_ghs_data: "no_ghs_data";
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ok: "ok";
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}>;
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ghs: z.ZodOptional<z.ZodObject<{
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signalWord: z.ZodOptional<z.ZodString>;
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pictograms: z.ZodArray<z.ZodString>;
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@@ -19,6 +24,7 @@ export declare const getCompoundSafety: import("@cyanheads/mcp-ts-core").ToolDef
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precautionaryStatements: z.ZodArray<z.ZodObject<{
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code: z.ZodString;
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statement: z.ZodString;
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decoded: z.ZodBoolean;
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}, z.core.$strip>>;
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}, z.core.$strip>>;
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source: z.ZodOptional<z.ZodString>;
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@@ -1 +1 @@
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-
{"version":3,"file":"get-compound-safety.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;
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{"version":3,"file":"get-compound-safety.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AA4CjD,eAAO,MAAM,iBAAiB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAuK5B,CAAC"}
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@@ -21,7 +21,12 @@ const ghsSchema = z
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.array(z
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.object({
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code: z.string().describe('P-code (e.g. "P210").'),
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statement: z
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statement: z
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.string()
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.describe('Standard precautionary statement text for the code. Empty string when "decoded" is false — PubChem deposits P-codes without text, so a blank statement means the code was not decoded, never that the depositor supplied an empty statement.'),
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decoded: z
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.boolean()
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.describe('Whether "statement" carries the standard text. False for codes needing label-specific fill text the depositor must supply (disposal method, firefighting agent, first-aid reference) and for codes outside the decoder table; the code itself is still authoritative.'),
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})
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.describe('GHS precautionary statement entry.'))
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.describe('GHS precautionary statements.'),
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@@ -52,58 +57,74 @@ export const getCompoundSafety = tool('pubchem_get_compound_safety', {
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hasData: z
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.boolean()
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.describe('Whether GHS safety data is available for this compound.'),
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status: z
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.enum(['ok', 'no_ghs_data', 'cid_not_found'])
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.describe('Outcome for this CID. "ok": GHS data returned. "no_ghs_data": the compound exists in PubChem but has no deposited GHS classification. "cid_not_found": PubChem has no record for this CID at all — the identifier is wrong, so verify it with pubchem_search_compounds rather than concluding the compound is unclassified.'),
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ghs: ghsSchema.optional(),
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source: z.string().optional().describe('Data source attribution.'),
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})
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.describe('Per-CID safety result.'))
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.describe('Safety results, one per requested CID (input order preserved).'),
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}),
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// Agent-facing context — requested/with-data counts and a
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//
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// Agent-facing context — requested/with-data counts and a notice that names the CIDs behind
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// each non-ok status separately. Reaches structuredContent and content[]; keys disjoint from
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// output.
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enrichment: {
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requestedCount: z.number().describe('CIDs requested.'),
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withDataCount: z.number().describe('CIDs with GHS safety data available.'),
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notice: z
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.string()
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.optional()
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.describe('
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.describe('Recovery guidance when one or more CIDs returned no GHS data, listing the unrecognized CIDs to verify separately from the CIDs that exist but carry no deposited classification.'),
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},
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async handler(input, ctx) {
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const client = getPubChemClient();
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// Fan out per CID, capped at MAX_IN_FLIGHT in flight.
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const
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const lookupByCid = new Map();
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for (let i = 0; i < input.cids.length; i += MAX_IN_FLIGHT) {
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const chunk = input.cids.slice(i, i + MAX_IN_FLIGHT);
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const chunkData = await Promise.all(chunk.map(async (cid) => [cid, await client.getSafetyData(cid)]));
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for (const [cid,
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for (const [cid, lookup] of chunkData)
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lookupByCid.set(cid, lookup);
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}
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const results = input.cids.map((cid) => {
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const
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if (
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return { cid, hasData: false };
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const lookup = lookupByCid.get(cid) ?? { status: 'no_ghs_data' };
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if (lookup.status !== 'ok')
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return { cid, hasData: false, status: lookup.status };
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return {
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cid,
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hasData: true,
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status: lookup.status,
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ghs: {
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signalWord:
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pictograms:
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hazardStatements:
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precautionaryStatements:
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signalWord: lookup.ghs.signalWord,
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pictograms: lookup.ghs.pictograms,
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hazardStatements: lookup.ghs.hazardStatements,
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precautionaryStatements: lookup.ghs.precautionaryStatements,
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},
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source:
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source: lookup.ghs.source,
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};
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});
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const withDataCount = results.filter((r) => r.hasData).length;
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const unknownCids = results.filter((r) => r.status === 'cid_not_found').map((r) => r.cid);
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const noDataCids = results.filter((r) => r.status === 'no_ghs_data').map((r) => r.cid);
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ctx.log.info('Safety data fetched', {
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requested: input.cids.length,
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withData: withDataCount,
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notFound: unknownCids.length,
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});
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ctx.enrich({ requestedCount: input.cids.length, withDataCount });
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// Unknown CIDs lead: a wrong identifier invalidates the question, whereas a real compound
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// without GHS data is a real answer. Collapsing the two is what made a mistyped CID read
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// as a confident "no hazards on file".
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const notices = [];
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if (unknownCids.length > 0) {
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notices.push(`PubChem has no record for ${unknownCids.length} of ${input.cids.length} CID(s): ${unknownCids.join(', ')} — verify the CID with pubchem_search_compounds. Nothing was evaluated for these identifiers, so they say nothing about any compound's hazards.`);
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}
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if (noDataCids.length > 0) {
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notices.push(`No GHS classification on file for ${noDataCids.length} of ${input.cids.length} CID(s): ${noDataCids.join(', ')}. These compounds exist in PubChem but have no deposited safety data — try pubchem_get_compound_details with includeDescription for hazard context.`);
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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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return { results };
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},
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format(result) {
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const blocks = [];
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for (const r of result.results) {
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if (!r.hasData || !r.ghs) {
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blocks.push(
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blocks.push(...(r.status === 'cid_not_found'
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? [
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`## CID ${r.cid} — no PubChem record`,
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'**Status:** cid_not_found — PubChem has no compound with this CID, so nothing was evaluated for safety. Verify it with pubchem_search_compounds.',
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]
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: [
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`## CID ${r.cid} — no GHS safety data`,
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'**Status:** no_ghs_data — the compound exists in PubChem but has no deposited GHS classification.',
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]), '');
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continue;
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}
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const lines = [`## GHS Safety Data — CID ${r.cid}`];
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const lines = [`## GHS Safety Data — CID ${r.cid}`, `**Status:** ${r.status}`];
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const g = r.ghs;
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if (g.signalWord)
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lines.push(`**Signal Word:** ${g.signalWord}`);
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lines.push(` ${h.code}: ${inlineData(h.statement)}`);
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}
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if (g.precautionaryStatements.length > 0) {
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lines.push('', '**Precautionary Statements:**');
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lines.push('', '**Precautionary Statements:** (PubChem deposits bare P-codes; any not decoded below is a decoder gap or a code needing label-specific fill text, not an empty statement)');
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for (const p of g.precautionaryStatements) {
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lines.push(p.
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lines.push(p.decoded ? ` ${p.code}: ${inlineData(p.statement)}` : ` ${p.code}: (not decoded)`);
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}
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}
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if (r.source)
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{"version":3,"file":"get-compound-safety.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,OAAO,EAAE,UAAU,EAAE,MAAM,qBAAqB,CAAC;AAEjD,MAAM,SAAS,GAAG,CAAC;KAChB,MAAM,CAAC;IACN,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,yCAAyC,CAAC;IACrF,UAAU,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,CAAC,mDAAmD,CAAC;IAC7F,gBAAgB,EAAE,CAAC;SAChB,KAAK,CACJ,CAAC;SACE,MAAM,CAAC;QACN,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uBAAuB,CAAC;QAClD,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;KACzD,CAAC;SACD,QAAQ,CAAC,6BAA6B,CAAC,CAC3C;SACA,QAAQ,CAAC,wBAAwB,CAAC;IACrC,uBAAuB,EAAE,CAAC;SACvB,KAAK,CACJ,CAAC;SACE,MAAM,CAAC;QACN,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uBAAuB,CAAC;QAClD,SAAS,EAAE,CAAC,
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+
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|
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@@ -99,9 +99,9 @@ export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
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|
99
99
|
: `${xref.totalAvailable} total`;
|
|
100
100
|
lines.push(`**${xref.type}** (${countInfo})`);
|
|
101
101
|
if (xref.ids.length > 0) {
|
|
102
|
-
|
|
103
|
-
|
|
104
|
-
lines.push(` ${
|
|
102
|
+
// Rendered in full: the handler already capped ids at maxPerType and the header
|
|
103
|
+
// discloses that cap, so a second slice here would hide IDs structuredContent returned.
|
|
104
|
+
lines.push(` ${xref.ids.join(', ')}`);
|
|
105
105
|
}
|
|
106
106
|
else {
|
|
107
107
|
lines.push(' None found');
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"get-compound-xrefs.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,UAAU,EAAE,MAAM,6BAA6B,CAAC;AAEzD,MAAM,YAAY,GAAG,CAAC,CAAC,IAAI,CAAC,UAA8C,CAAC,CAAC;AAE5E,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IACjE,KAAK,EAAE,+BAA+B;IACtC,WAAW,EACT,6MAA6M;IAC/M,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC;aACH,MAAM,EAAE;aACR,GAAG,EAAE;aACL,QAAQ,EAAE;aACV,QAAQ,CAAC,8EAA8E,CAAC;QAC3F,SAAS,EAAE,CAAC;aACT,KAAK,CAAC,YAAY,CAAC;aACnB,GAAG,CAAC,CAAC,CAAC;aACN,QAAQ,CACP,iNAAiN,CAClN;QACH,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CACP,wIAAwI,CACzI;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QAChD,KAAK,EAAE,CAAC;aACL,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,IAAI,EAAE,CAAC;iBACJ,MAAM,EAAE;iBACR,QAAQ,CACP,6FAA6F,CAC9F;YACH,GAAG,EAAE,CAAC;iBACH,KAAK,CACJ,CAAC;iBACE,KAAK,CAAC;gBACL,CAAC;qBACE,MAAM,EAAE;qBACR,QAAQ,CAAC,2DAA2D,CAAC;gBACxE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uDAAuD,CAAC;aAC7E,CAAC;iBACD,QAAQ,CAAC,kEAAkE,CAAC,CAChF;iBACA,QAAQ,CAAC,6CAA6C,CAAC;YAC1D,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;YAC7E,SAAS,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;SACnE,CAAC;aACD,QAAQ,CAAC,qCAAqC,CAAC,CACnD;aACA,QAAQ,CAAC,mCAAmC,CAAC;KACjD,CAAC;IACF,wFAAwF;IACxF,4FAA4F;IAC5F,mEAAmE;IACnE,UAAU,EAAE;QACV,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,4IAA4I,CAC7I;KACJ;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAElC,iDAAiD;QACjD,MAAM,KAAK,GAKN,EAAE,CAAC;QAER,KAAK,MAAM,QAAQ,IAAI,KAAK,CAAC,SAAS,EAAE,CAAC;YACvC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,GAAG,EAAE,QAAQ,CAAC,CAAC;YAC1D,MAAM,cAAc,GAAG,MAAM,CAAC,MAAM,CAAC;YACrC,MAAM,GAAG,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;YAE9C,KAAK,CAAC,IAAI,CAAC;gBACT,IAAI,EAAE,QAAQ;gBACd,GAAG;gBACH,cAAc;gBACd,SAAS,EAAE,cAAc,GAAG,KAAK,CAAC,UAAU;aAC7C,CAAC,CAAC;QACL,CAAC;QAED,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,eAAe,EAAE;YAC5B,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,KAAK,EAAE,KAAK,CAAC,SAAS;YACtB,QAAQ,EAAE,KAAK,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,CAAC,EAAE,EAAE,CAAC,GAAG,GAAG,CAAC,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC;SAC1D,CAAC,CAAC;QAEH,mFAAmF;QACnF,yFAAyF;QACzF,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,cAAc,KAAK,CAAC,CAAC,EAAE,CAAC;YAC/C,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,qCAAqC,KAAK,CAAC,GAAG,kCAAkC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,oGAAoG,CAC/M,CAAC;QACJ,CAAC;QAED,OAAO,EAAE,GAAG,EAAE,KAAK,CAAC,GAAG,EAAE,KAAK,EAAE,CAAC;IACnC,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,KAAK,GAAa,CAAC,4BAA4B,MAAM,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,CAAC;QAEvE,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,KAAK,EAAE,CAAC;YAChC,MAAM,SAAS,GAAG,IAAI,CAAC,SAAS;gBAC9B,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,OAAO,IAAI,CAAC,cAAc,oBAAoB;gBAClE,CAAC,CAAC,GAAG,IAAI,CAAC,cAAc,QAAQ,CAAC;YACnC,KAAK,CAAC,IAAI,CAAC,KAAK,IAAI,CAAC,IAAI,OAAO,SAAS,GAAG,CAAC,CAAC;YAE9C,IAAI,IAAI,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;gBACxB,
|
|
1
|
+
{"version":3,"file":"get-compound-xrefs.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,UAAU,EAAE,MAAM,6BAA6B,CAAC;AAEzD,MAAM,YAAY,GAAG,CAAC,CAAC,IAAI,CAAC,UAA8C,CAAC,CAAC;AAE5E,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IACjE,KAAK,EAAE,+BAA+B;IACtC,WAAW,EACT,6MAA6M;IAC/M,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC;aACH,MAAM,EAAE;aACR,GAAG,EAAE;aACL,QAAQ,EAAE;aACV,QAAQ,CAAC,8EAA8E,CAAC;QAC3F,SAAS,EAAE,CAAC;aACT,KAAK,CAAC,YAAY,CAAC;aACnB,GAAG,CAAC,CAAC,CAAC;aACN,QAAQ,CACP,iNAAiN,CAClN;QACH,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CACP,wIAAwI,CACzI;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QAChD,KAAK,EAAE,CAAC;aACL,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,IAAI,EAAE,CAAC;iBACJ,MAAM,EAAE;iBACR,QAAQ,CACP,6FAA6F,CAC9F;YACH,GAAG,EAAE,CAAC;iBACH,KAAK,CACJ,CAAC;iBACE,KAAK,CAAC;gBACL,CAAC;qBACE,MAAM,EAAE;qBACR,QAAQ,CAAC,2DAA2D,CAAC;gBACxE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uDAAuD,CAAC;aAC7E,CAAC;iBACD,QAAQ,CAAC,kEAAkE,CAAC,CAChF;iBACA,QAAQ,CAAC,6CAA6C,CAAC;YAC1D,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;YAC7E,SAAS,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;SACnE,CAAC;aACD,QAAQ,CAAC,qCAAqC,CAAC,CACnD;aACA,QAAQ,CAAC,mCAAmC,CAAC;KACjD,CAAC;IACF,wFAAwF;IACxF,4FAA4F;IAC5F,mEAAmE;IACnE,UAAU,EAAE;QACV,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,4IAA4I,CAC7I;KACJ;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAElC,iDAAiD;QACjD,MAAM,KAAK,GAKN,EAAE,CAAC;QAER,KAAK,MAAM,QAAQ,IAAI,KAAK,CAAC,SAAS,EAAE,CAAC;YACvC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,GAAG,EAAE,QAAQ,CAAC,CAAC;YAC1D,MAAM,cAAc,GAAG,MAAM,CAAC,MAAM,CAAC;YACrC,MAAM,GAAG,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;YAE9C,KAAK,CAAC,IAAI,CAAC;gBACT,IAAI,EAAE,QAAQ;gBACd,GAAG;gBACH,cAAc;gBACd,SAAS,EAAE,cAAc,GAAG,KAAK,CAAC,UAAU;aAC7C,CAAC,CAAC;QACL,CAAC;QAED,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,eAAe,EAAE;YAC5B,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,KAAK,EAAE,KAAK,CAAC,SAAS;YACtB,QAAQ,EAAE,KAAK,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,CAAC,EAAE,EAAE,CAAC,GAAG,GAAG,CAAC,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC;SAC1D,CAAC,CAAC;QAEH,mFAAmF;QACnF,yFAAyF;QACzF,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,cAAc,KAAK,CAAC,CAAC,EAAE,CAAC;YAC/C,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,qCAAqC,KAAK,CAAC,GAAG,kCAAkC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,oGAAoG,CAC/M,CAAC;QACJ,CAAC;QAED,OAAO,EAAE,GAAG,EAAE,KAAK,CAAC,GAAG,EAAE,KAAK,EAAE,CAAC;IACnC,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,KAAK,GAAa,CAAC,4BAA4B,MAAM,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,CAAC;QAEvE,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,KAAK,EAAE,CAAC;YAChC,MAAM,SAAS,GAAG,IAAI,CAAC,SAAS;gBAC9B,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,OAAO,IAAI,CAAC,cAAc,oBAAoB;gBAClE,CAAC,CAAC,GAAG,IAAI,CAAC,cAAc,QAAQ,CAAC;YACnC,KAAK,CAAC,IAAI,CAAC,KAAK,IAAI,CAAC,IAAI,OAAO,SAAS,GAAG,CAAC,CAAC;YAE9C,IAAI,IAAI,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;gBACxB,gFAAgF;gBAChF,wFAAwF;gBACxF,KAAK,CAAC,IAAI,CAAC,KAAK,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;YACzC,CAAC;iBAAM,CAAC;gBACN,KAAK,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;YAC7B,CAAC;YACD,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACjB,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"get-summary.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-summary.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;
|
|
1
|
+
{"version":3,"file":"get-summary.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-summary.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAwCjD,eAAO,MAAM,UAAU;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAqIrB,CAAC"}
|
|
@@ -28,7 +28,10 @@ const entitySummaryDataSchema = z.object({
|
|
|
28
28
|
scientificName: z.string().optional().describe('Scientific name (taxonomy summaries).'),
|
|
29
29
|
commonName: z.string().optional().describe('Common name (taxonomy summaries).'),
|
|
30
30
|
rank: z.string().optional().describe('Taxonomic rank (taxonomy summaries).'),
|
|
31
|
-
lineage: z
|
|
31
|
+
lineage: z
|
|
32
|
+
.array(z.string())
|
|
33
|
+
.optional()
|
|
34
|
+
.describe('Taxonomic lineage ordered from the most inclusive rank to the most specific, e.g. ["Eukaryota", "Metazoa", "Chordata"] (taxonomy summaries). Ranks that do not apply to the entity are omitted.'),
|
|
32
35
|
});
|
|
33
36
|
export const getSummary = tool('pubchem_get_summary', {
|
|
34
37
|
title: 'Get Entity Summary',
|
|
@@ -125,12 +128,15 @@ export const getSummary = tool('pubchem_get_summary', {
|
|
|
125
128
|
if (Array.isArray(value)) {
|
|
126
129
|
if (value.length === 0)
|
|
127
130
|
continue;
|
|
128
|
-
|
|
131
|
+
/**
|
|
132
|
+
* synonyms / lineage — upstream free text; escape each element inline.
|
|
133
|
+
* Rendered in full: structuredContent carries the whole array, so capping
|
|
134
|
+
* here would hide values the structured surface already returned.
|
|
135
|
+
* Pipe-separated because synonyms carry their own commas ("Homo sapiens
|
|
136
|
+
* Linnaeus, 1758"), which would split one entry into two.
|
|
137
|
+
*/
|
|
129
138
|
const items = value.map((v) => inlineData(String(v)));
|
|
130
|
-
|
|
131
|
-
? `${items.slice(0, 10).join(', ')} (+${items.length - 10} more)`
|
|
132
|
-
: items.join(', ');
|
|
133
|
-
lines.push(` ${formatKey(key)}: ${display}`);
|
|
139
|
+
lines.push(` ${formatKey(key)}: ${items.join(' | ')}`);
|
|
134
140
|
}
|
|
135
141
|
else if (typeof value === 'string') {
|
|
136
142
|
lines.push(` ${formatKey(key)}: ${inlineData(value)}`);
|
|
@@ -174,6 +180,29 @@ function toStrArr(v) {
|
|
|
174
180
|
return [v];
|
|
175
181
|
return;
|
|
176
182
|
}
|
|
183
|
+
/**
|
|
184
|
+
* Ranks of PubChem's `RankedLineage`, ordered most-inclusive-first. The upstream
|
|
185
|
+
* object keys run the other way (Species first) and carry empty strings for ranks
|
|
186
|
+
* that do not apply, so the flat lineage is rebuilt in this order with blanks dropped.
|
|
187
|
+
*/
|
|
188
|
+
const LINEAGE_RANKS = [
|
|
189
|
+
'Superkingdom',
|
|
190
|
+
'Kingdom',
|
|
191
|
+
'Phylum',
|
|
192
|
+
'Class',
|
|
193
|
+
'Order',
|
|
194
|
+
'Family',
|
|
195
|
+
'Genus',
|
|
196
|
+
'Species',
|
|
197
|
+
];
|
|
198
|
+
/** Flatten a `RankedLineage` object into an ordered list of taxon names. */
|
|
199
|
+
function toLineage(v) {
|
|
200
|
+
if (typeof v !== 'object' || v === null || Array.isArray(v))
|
|
201
|
+
return;
|
|
202
|
+
const ranked = v;
|
|
203
|
+
const names = LINEAGE_RANKS.map((rank) => ranked[rank]).filter((name) => typeof name === 'string' && name.length > 0);
|
|
204
|
+
return names.length > 0 ? names : undefined;
|
|
205
|
+
}
|
|
177
206
|
/** Assign `value` to `target[key]` only when defined — keeps unknowns off the output. */
|
|
178
207
|
function put(target, key, value) {
|
|
179
208
|
if (value !== undefined)
|
|
@@ -187,8 +216,8 @@ function extractSummary(entityType, raw) {
|
|
|
187
216
|
put(data, 'name', toStr(raw.Name ?? raw.AssayName));
|
|
188
217
|
put(data, 'description', toStr(raw.Description));
|
|
189
218
|
put(data, 'sourceName', toStr(raw.SourceName));
|
|
190
|
-
put(data, 'numSubstances', toNum(raw.
|
|
191
|
-
put(data, 'numActive', toNum(raw.
|
|
219
|
+
put(data, 'numSubstances', toNum(raw.SIDCountAll));
|
|
220
|
+
put(data, 'numActive', toNum(raw.SIDCountActive));
|
|
192
221
|
return data;
|
|
193
222
|
case 'gene':
|
|
194
223
|
put(data, 'geneId', toNum(raw.GeneID));
|
|
@@ -211,7 +240,8 @@ function extractSummary(entityType, raw) {
|
|
|
211
240
|
put(data, 'scientificName', toStr(raw.ScientificName));
|
|
212
241
|
put(data, 'commonName', toStr(raw.CommonName));
|
|
213
242
|
put(data, 'rank', toStr(raw.Rank));
|
|
214
|
-
put(data, 'lineage',
|
|
243
|
+
put(data, 'lineage', toLineage(raw.RankedLineage));
|
|
244
|
+
put(data, 'synonyms', toStrArr(raw.Synonym));
|
|
215
245
|
return data;
|
|
216
246
|
}
|
|
217
247
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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