@cyanheads/pubchem-mcp-server 0.4.3 → 0.5.1
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/README.md +5 -4
- 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-xrefs.resource.js +1 -1
- package/dist/mcp-server/resources/definitions/compound-xrefs.resource.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.d.ts +3 -0
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.js +41 -13
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.d.ts +11 -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 +147 -21
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.d.ts +3 -0
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js +60 -16
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/index.d.ts +22 -2
- package/dist/mcp-server/tools/definitions/index.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-assays.tool.d.ts +3 -0
- package/dist/mcp-server/tools/definitions/search-assays.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-assays.tool.js +41 -16
- package/dist/mcp-server/tools/definitions/search-assays.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts +2 -1
- package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-compounds.tool.js +46 -18
- package/dist/mcp-server/tools/definitions/search-compounds.tool.js.map +1 -1
- package/dist/services/pubchem/pubchem-client.d.ts +26 -4
- package/dist/services/pubchem/pubchem-client.d.ts.map +1 -1
- package/dist/services/pubchem/pubchem-client.js +43 -15
- package/dist/services/pubchem/pubchem-client.js.map +1 -1
- package/manifest.json +1 -1
- package/package.json +1 -1
- package/server.json +3 -3
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1
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+
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@@ -8,6 +8,7 @@ export declare const getCompoundXrefs: import("@cyanheads/mcp-ts-core").ToolDefi
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8
8
|
xrefTypes: z.ZodArray<z.ZodEnum<{
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9
9
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[x: string]: string;
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10
10
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}>>;
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11
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+
offset: z.ZodDefault<z.ZodNumber>;
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11
12
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maxPerType: z.ZodDefault<z.ZodNumber>;
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12
13
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}, z.core.$strip>, z.ZodObject<{
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13
14
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cid: z.ZodNumber;
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@@ -18,6 +19,8 @@ export declare const getCompoundXrefs: import("@cyanheads/mcp-ts-core").ToolDefi
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|
18
19
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truncated: z.ZodBoolean;
|
|
19
20
|
}, z.core.$strip>>;
|
|
20
21
|
}, z.core.$strip>, undefined, {
|
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22
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+
readonly offset: z.ZodNumber;
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readonly nextOffset: z.ZodOptional<z.ZodNumber>;
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readonly notice: z.ZodOptional<z.ZodString>;
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}>;
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//# sourceMappingURL=get-compound-xrefs.tool.d.ts.map
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@@ -1 +1 @@
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-
{"version":3,"file":"get-compound-xrefs.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAMjD,eAAO,MAAM,gBAAgB
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1
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{"version":3,"file":"get-compound-xrefs.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAMjD,eAAO,MAAM,gBAAgB;;;;;;;;;;;;;;;;;;;EAwL3B,CAAC"}
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@@ -8,7 +8,7 @@ import { XREF_TYPES } from '../../../services/pubchem/types.js';
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const xrefTypeEnum = z.enum(XREF_TYPES);
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export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
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title: 'Get Compound Cross-References',
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-
description: 'Get external database cross-references for a compound: PubMed citations, patent IDs, gene/protein associations, registry numbers, and taxonomy IDs. Results are
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description: 'Get external database cross-references for a compound: PubMed citations, patent IDs, gene/protein associations, registry numbers, and taxonomy IDs. Results are paged per type — capped at maxPerType with the total count reported; reach the IDs past a page with offset.',
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annotations: {
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readOnlyHint: true,
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idempotentHint: true,
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@@ -24,12 +24,18 @@ export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
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.array(xrefTypeEnum)
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.min(1)
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.describe('Cross-reference types to retrieve. String IDs: RegistryID (DSSTox/EPA registry numbers), RN (CAS numbers), PatentID. Numeric IDs: PubMedID, GeneID (NCBI Gene), ProteinGI (legacy NCBI Protein GI), TaxonomyID.'),
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offset: z
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.number()
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.int()
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.min(0)
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.default(0)
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.describe('Zero-based index of the first ID to return within each xref type. The same offset is applied to every requested type. Pass the nextOffset from a previous call to read the following page. Default: 0.'),
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maxPerType: z
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.number()
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.min(1)
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.max(500)
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.default(50)
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.describe('Max IDs to return per xref type (1-500). A compound may have thousands of PubMed references. Total count always reported. Default: 50.'),
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.describe('Max IDs to return per xref type per page (1-500). A compound may have thousands of PubMed references; use offset to reach the ones past this page. Total count always reported. Default: 50.'),
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}),
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output: z.object({
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cid: z.number().describe('PubChem Compound ID.'),
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@@ -48,21 +54,31 @@ export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
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z.number().describe('Numeric cross-reference ID (e.g. PubMed ID, Gene ID).'),
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])
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50
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.describe('Cross-reference identifier — string or number depending on type.'))
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.describe('Cross-reference IDs (
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totalAvailable: z
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-
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.describe('Cross-reference IDs on this page (window of offset + maxPerType).'),
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totalAvailable: z
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.number()
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.describe('Total IDs available for this type, across all pages.'),
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truncated: z
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.boolean()
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.describe('True when IDs for this type remain past the current page.'),
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})
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.describe('Cross-reference group for one type.'))
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.describe('Cross-references grouped by type.'),
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}),
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// Agent-facing context —
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// real compound that simply has none of the
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// and content[]; keys disjoint from output
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// Agent-facing context — the page boundary shared by every requested type, plus a notice
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// distinguishing a nonexistent CID from a real compound that simply has none of the
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// requested xref types. Reaches structuredContent and content[]; keys disjoint from output
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// (cid/xrefs live there).
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enrichment: {
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offset: z.number().describe('Zero-based index of the first ID returned within each type.'),
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nextOffset: z
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.number()
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.optional()
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.describe('Offset to pass on the next call to continue past this page. Omitted when no requested type has further IDs.'),
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notice: z
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.string()
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.optional()
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.describe('Recovery guidance when every requested xref type returned zero IDs
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81
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+
.describe('Recovery guidance when every requested xref type returned zero IDs, when the offset runs past every type, or when further pages remain. Absent when this page is complete and non-empty.'),
|
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},
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async handler(input, ctx) {
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const client = getPubChemClient();
|
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@@ -71,32 +87,60 @@ export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
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for (const xrefType of input.xrefTypes) {
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const allIds = await client.getXrefs(input.cid, xrefType);
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const totalAvailable = allIds.length;
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-
|
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90
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+
// Offset is applied client-side: PubChem's xref endpoint returns the whole list for a
|
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91
|
+
// type in one response, so getXrefs already holds every ID.
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+
const ids = allIds.slice(input.offset, input.offset + input.maxPerType);
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xrefs.push({
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type: xrefType,
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ids,
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totalAvailable,
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truncated:
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+
truncated: input.offset + ids.length < totalAvailable,
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});
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}
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ctx.log.info('Xrefs fetched', {
|
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cid: input.cid,
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types: input.xrefTypes,
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+
offset: input.offset,
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totalIds: xrefs.reduce((sum, x) => sum + x.ids.length, 0),
|
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});
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+
// Any type whose page is full has more behind it, and every full page is the same length —
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+
// so a single nextOffset covers every type that still has IDs left. The stride comes from a
|
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108
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+
// returned page rather than maxPerType, which accepts a fractional value that would make
|
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|
+
// nextOffset non-integer and so rejected by this tool's own offset input.
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+
const remainingTypes = xrefs.filter((x) => x.truncated);
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111
|
+
const hasMore = remainingTypes.length > 0;
|
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112
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+
const nextOffset = input.offset + (remainingTypes[0]?.ids.length ?? 0);
|
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113
|
+
const largestTotal = Math.max(...xrefs.map((x) => x.totalAvailable));
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114
|
+
ctx.enrich({ offset: input.offset });
|
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115
|
+
if (hasMore)
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+
ctx.enrich({ nextOffset });
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87
117
|
// Empty-result signal (#30): every requested type came back empty — either the CID
|
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88
118
|
// doesn't exist or it genuinely has none of these xref types. Point at CID verification.
|
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89
|
-
if (
|
|
119
|
+
if (largestTotal === 0) {
|
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90
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|
ctx.enrich.notice(`No cross-references found for CID ${input.cid} across the requested type(s): ${input.xrefTypes.join(', ')}. The compound may have none of these xref types, or verify the CID with pubchem_search_compounds.`);
|
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91
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|
}
|
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122
|
+
else if (xrefs.every((x) => x.ids.length === 0)) {
|
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+
ctx.enrich.notice(`offset ${input.offset} is past every requested type — the largest has ${largestTotal} ID(s). Pass an offset below ${largestTotal}.`);
|
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124
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+
}
|
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125
|
+
else if (hasMore) {
|
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126
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+
const remaining = remainingTypes
|
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127
|
+
.map((x) => `${x.type} (${x.totalAvailable} total)`)
|
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128
|
+
.join(', ');
|
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129
|
+
ctx.enrich.notice(`More IDs remain for: ${remaining}. Pass offset=${nextOffset} for the next page.`);
|
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130
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+
}
|
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92
131
|
return { cid: input.cid, xrefs };
|
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93
132
|
},
|
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94
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|
format(result) {
|
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95
134
|
const lines = [`Cross-references for CID ${result.cid}`, ''];
|
|
96
135
|
for (const xref of result.xrefs) {
|
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97
|
-
|
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98
|
-
|
|
99
|
-
|
|
136
|
+
// A page shorter than the total is disclosed as a window; "truncated" additionally
|
|
137
|
+
// marks that IDs remain *after* it (an offset can also leave IDs before it).
|
|
138
|
+
let countInfo = `${xref.totalAvailable} total`;
|
|
139
|
+
if (xref.ids.length !== xref.totalAvailable) {
|
|
140
|
+
countInfo = `${xref.ids.length} of ${xref.totalAvailable} total`;
|
|
141
|
+
if (xref.truncated)
|
|
142
|
+
countInfo += ' — truncated';
|
|
143
|
+
}
|
|
100
144
|
lines.push(`**${xref.type}** (${countInfo})`);
|
|
101
145
|
if (xref.ids.length > 0) {
|
|
102
146
|
// Rendered in full: the handler already capped ids at maxPerType and the header
|
|
@@ -104,7 +148,7 @@ export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
|
|
|
104
148
|
lines.push(` ${xref.ids.join(', ')}`);
|
|
105
149
|
}
|
|
106
150
|
else {
|
|
107
|
-
lines.push(' None found');
|
|
151
|
+
lines.push(xref.totalAvailable > 0 ? ' None on this page' : ' None found');
|
|
108
152
|
}
|
|
109
153
|
lines.push('');
|
|
110
154
|
}
|
|
@@ -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,
|
|
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,6QAA6Q;IAC/Q,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,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,GAAG,EAAE;aACL,GAAG,CAAC,CAAC,CAAC;aACN,OAAO,CAAC,CAAC,CAAC;aACV,QAAQ,CACP,wMAAwM,CACzM;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,8LAA8L,CAC/L;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,mEAAmE,CAAC;YAChF,cAAc,EAAE,CAAC;iBACd,MAAM,EAAE;iBACR,QAAQ,CAAC,sDAAsD,CAAC;YACnE,SAAS,EAAE,CAAC;iBACT,OAAO,EAAE;iBACT,QAAQ,CAAC,2DAA2D,CAAC;SACzE,CAAC;aACD,QAAQ,CAAC,qCAAqC,CAAC,CACnD;aACA,QAAQ,CAAC,mCAAmC,CAAC;KACjD,CAAC;IACF,yFAAyF;IACzF,oFAAoF;IACpF,2FAA2F;IAC3F,0BAA0B;IAC1B,UAAU,EAAE;QACV,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6DAA6D,CAAC;QAC1F,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,6GAA6G,CAC9G;QACH,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,0LAA0L,CAC3L;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,sFAAsF;YACtF,4DAA4D;YAC5D,MAAM,GAAG,GAAG,MAAM,CAAC,KAAK,CAAC,KAAK,CAAC,MAAM,EAAE,KAAK,CAAC,MAAM,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC;YAExE,KAAK,CAAC,IAAI,CAAC;gBACT,IAAI,EAAE,QAAQ;gBACd,GAAG;gBACH,cAAc;gBACd,SAAS,EAAE,KAAK,CAAC,MAAM,GAAG,GAAG,CAAC,MAAM,GAAG,cAAc;aACtD,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,MAAM,EAAE,KAAK,CAAC,MAAM;YACpB,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,2FAA2F;QAC3F,4FAA4F;QAC5F,yFAAyF;QACzF,0EAA0E;QAC1E,MAAM,cAAc,GAAG,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC;QACxD,MAAM,OAAO,GAAG,cAAc,CAAC,MAAM,GAAG,CAAC,CAAC;QAC1C,MAAM,UAAU,GAAG,KAAK,CAAC,MAAM,GAAG,CAAC,cAAc,CAAC,CAAC,CAAC,EAAE,GAAG,CAAC,MAAM,IAAI,CAAC,CAAC,CAAC;QACvE,MAAM,YAAY,GAAG,IAAI,CAAC,GAAG,CAAC,GAAG,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC;QAErE,GAAG,CAAC,MAAM,CAAC,EAAE,MAAM,EAAE,KAAK,CAAC,MAAM,EAAE,CAAC,CAAC;QACrC,IAAI,OAAO;YAAE,GAAG,CAAC,MAAM,CAAC,EAAE,UAAU,EAAE,CAAC,CAAC;QAExC,mFAAmF;QACnF,yFAAyF;QACzF,IAAI,YAAY,KAAK,CAAC,EAAE,CAAC;YACvB,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;aAAM,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,MAAM,KAAK,CAAC,CAAC,EAAE,CAAC;YAClD,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,UAAU,KAAK,CAAC,MAAM,mDAAmD,YAAY,gCAAgC,YAAY,GAAG,CACrI,CAAC;QACJ,CAAC;aAAM,IAAI,OAAO,EAAE,CAAC;YACnB,MAAM,SAAS,GAAG,cAAc;iBAC7B,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,GAAG,CAAC,CAAC,IAAI,KAAK,CAAC,CAAC,cAAc,SAAS,CAAC;iBACnD,IAAI,CAAC,IAAI,CAAC,CAAC;YACd,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,wBAAwB,SAAS,iBAAiB,UAAU,qBAAqB,CAClF,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,mFAAmF;YACnF,6EAA6E;YAC7E,IAAI,SAAS,GAAG,GAAG,IAAI,CAAC,cAAc,QAAQ,CAAC;YAC/C,IAAI,IAAI,CAAC,GAAG,CAAC,MAAM,KAAK,IAAI,CAAC,cAAc,EAAE,CAAC;gBAC5C,SAAS,GAAG,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,OAAO,IAAI,CAAC,cAAc,QAAQ,CAAC;gBACjE,IAAI,IAAI,CAAC,SAAS;oBAAE,SAAS,IAAI,cAAc,CAAC;YAClD,CAAC;YACD,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,IAAI,CAAC,cAAc,GAAG,CAAC,CAAC,CAAC,CAAC,qBAAqB,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC;YAC/E,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"}
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includeDescription: import("zod").ZodDefault<import("zod").ZodBoolean>;
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proteinname: "proteinname";
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}>;
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}, import("zod/v4/core").$strip>, import("zod").ZodObject<{
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/index.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAaH,eAAO,MAAM,kBAAkB
|
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1
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+
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/index.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAaH,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;KAW9B,CAAC"}
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@@ -13,6 +13,7 @@ export declare const searchAssays: import("@cyanheads/mcp-ts-core").ToolDefiniti
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proteinname: "proteinname";
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}>;
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targetQuery: z.ZodString;
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offset: z.ZodDefault<z.ZodNumber>;
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}, z.core.$strip>, z.ZodObject<{
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@@ -30,6 +31,8 @@ export declare const searchAssays: import("@cyanheads/mcp-ts-core").ToolDefiniti
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readonly shown: z.ZodOptional<z.ZodNumber>;
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readonly cap: z.ZodOptional<z.ZodNumber>;
|
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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"search-assays.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-assays.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAGjE,eAAO,MAAM,YAAY
|
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1
|
+
{"version":3,"file":"search-assays.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-assays.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAGjE,eAAO,MAAM,YAAY;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAwJvB,CAAC"}
|
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@@ -8,7 +8,7 @@ import { JsonRpcErrorCode } from '@cyanheads/mcp-ts-core/errors';
|
|
|
8
8
|
import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
|
|
9
9
|
export const searchAssays = tool('pubchem_search_assays', {
|
|
10
10
|
title: 'Search Assays',
|
|
11
|
-
description: 'Find PubChem bioassays associated with a biological target. Search by gene symbol (e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns assay IDs (AIDs) which can be explored further with pubchem_get_summary.',
|
|
11
|
+
description: 'Find PubChem bioassays associated with a biological target. Search by gene symbol (e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns a page of assay IDs (AIDs) — page past maxResults with offset — which can be explored further with pubchem_get_summary.',
|
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12
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|
annotations: {
|
|
13
13
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readOnlyHint: true,
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14
14
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idempotentHint: true,
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@@ -21,34 +21,43 @@ export const searchAssays = tool('pubchem_search_assays', {
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21
21
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targetQuery: z
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22
22
|
.string()
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23
23
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.describe('Target identifier. Examples: "EGFR" (genesymbol), "Epidermal growth factor receptor" (proteinname), "1956" (geneid), "P00533" (proteinaccession).'),
|
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24
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+
offset: z
|
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25
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+
.number()
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26
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+
.int()
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27
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+
.min(0)
|
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28
|
+
.default(0)
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29
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+
.describe('Zero-based index of the first AID to return. Pass the nextOffset from a previous call to read the following page. Default: 0.'),
|
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24
30
|
maxResults: z
|
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25
31
|
.number()
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26
32
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.min(1)
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27
33
|
.max(200)
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28
34
|
.default(50)
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29
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-
.describe('Max AIDs to return (1-200). Popular targets may have thousands of assays. Default: 50.'),
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35
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+
.describe('Max AIDs to return per page (1-200). Popular targets may have thousands of assays; use offset to reach the ones past this page. Default: 50.'),
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30
36
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}),
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31
37
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output: z.object({
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32
38
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aids: z.array(z.number()).describe('PubChem Assay IDs.'),
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33
39
|
}),
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34
|
-
// Agent-facing context — target echo, total
|
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40
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+
// Agent-facing context — target echo, the total across all pages, the page boundary, and a
|
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41
|
+
// notice distinguishing "no match" from "offset past the end".
|
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35
42
|
// Reaches structuredContent and content[] automatically; not in the domain return.
|
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36
43
|
enrichment: {
|
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37
44
|
targetType: z
|
|
38
45
|
.string()
|
|
39
46
|
.describe('Target identifier type used: genesymbol, proteinname, geneid, or proteinaccession.'),
|
|
40
47
|
targetQuery: z.string().describe('Target identifier searched.'),
|
|
41
|
-
totalFound: z.number().describe('Total AIDs found
|
|
42
|
-
|
|
43
|
-
|
|
48
|
+
totalFound: z.number().describe('Total AIDs found for this target, across all pages.'),
|
|
49
|
+
offset: z.number().describe('Zero-based index of the first AID returned.'),
|
|
50
|
+
nextOffset: z
|
|
51
|
+
.number()
|
|
44
52
|
.optional()
|
|
45
|
-
.describe('
|
|
46
|
-
|
|
53
|
+
.describe('Offset to pass on the next call to continue past this page. Omitted when no further AIDs match.'),
|
|
54
|
+
truncated: z.boolean().optional().describe('True when matching AIDs remain past this page.'),
|
|
55
|
+
shown: z.number().optional().describe('AIDs returned on this page.'),
|
|
47
56
|
cap: z.number().optional().describe('The maxResults cap that was applied.'),
|
|
48
57
|
notice: z
|
|
49
58
|
.string()
|
|
50
59
|
.optional()
|
|
51
|
-
.describe('Recovery guidance when no assays matched
|
|
60
|
+
.describe('Recovery guidance when no assays matched, when the offset runs past the result set, or when further pages remain. Absent when this page is complete and non-empty.'),
|
|
52
61
|
},
|
|
53
62
|
errors: [
|
|
54
63
|
{
|
|
@@ -80,20 +89,34 @@ export const searchAssays = tool('pubchem_search_assays', {
|
|
|
80
89
|
}
|
|
81
90
|
const allAids = await client.searchAssaysByTarget(input.targetType, targetQuery);
|
|
82
91
|
const totalFound = allAids.length;
|
|
83
|
-
|
|
92
|
+
// Offset is applied client-side: PubChem's target-to-AID endpoint returns the whole AID
|
|
93
|
+
// list in one response, so searchAssaysByTarget already holds every match.
|
|
94
|
+
const aids = allAids.slice(input.offset, input.offset + input.maxResults);
|
|
95
|
+
const nextOffset = input.offset + aids.length;
|
|
96
|
+
const hasMore = nextOffset < totalFound;
|
|
84
97
|
ctx.log.info('Assay search completed', {
|
|
85
98
|
targetType: input.targetType,
|
|
86
99
|
targetQuery,
|
|
87
100
|
totalFound,
|
|
101
|
+
offset: input.offset,
|
|
88
102
|
returned: aids.length,
|
|
89
103
|
});
|
|
90
|
-
// Agent-facing context: target echo, total, and
|
|
91
|
-
ctx.enrich({ targetType: input.targetType, targetQuery, totalFound });
|
|
92
|
-
if (
|
|
104
|
+
// Agent-facing context: target echo, total, page boundary, and recovery notices.
|
|
105
|
+
ctx.enrich({ targetType: input.targetType, targetQuery, totalFound, offset: input.offset });
|
|
106
|
+
if (hasMore)
|
|
107
|
+
ctx.enrich({ nextOffset });
|
|
108
|
+
if (totalFound === 0) {
|
|
93
109
|
ctx.enrich.notice(`No assays found for "${targetQuery}" (${input.targetType}). Try a different targetType (e.g. switch from proteinname to genesymbol), verify the identifier spelling, or use pubchem_get_summary for gene/protein entity lookups.`);
|
|
94
110
|
}
|
|
95
|
-
else if (
|
|
96
|
-
ctx.enrich.
|
|
111
|
+
else if (aids.length === 0) {
|
|
112
|
+
ctx.enrich.notice(`offset ${input.offset} is past the ${totalFound} AID(s) found for "${targetQuery}". Pass an offset below ${totalFound}.`);
|
|
113
|
+
}
|
|
114
|
+
else if (hasMore) {
|
|
115
|
+
ctx.enrich.truncated({
|
|
116
|
+
shown: aids.length,
|
|
117
|
+
cap: input.maxResults,
|
|
118
|
+
guidance: `Showing AIDs ${input.offset + 1}-${nextOffset} of ${totalFound}. Pass offset=${nextOffset} for the next page.`,
|
|
119
|
+
});
|
|
97
120
|
}
|
|
98
121
|
return { aids };
|
|
99
122
|
},
|
|
@@ -101,7 +124,9 @@ export const searchAssays = tool('pubchem_search_assays', {
|
|
|
101
124
|
if (result.aids.length > 0) {
|
|
102
125
|
return [{ type: 'text', text: `AIDs: ${result.aids.join(', ')}` }];
|
|
103
126
|
}
|
|
104
|
-
|
|
127
|
+
// Neutral wording: an empty page is either "no match" or "offset past the end" — the
|
|
128
|
+
// enrichment trailer's notice says which.
|
|
129
|
+
return [{ type: 'text', text: 'No assays returned.' }];
|
|
105
130
|
},
|
|
106
131
|
});
|
|
107
132
|
//# sourceMappingURL=search-assays.tool.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"search-assays.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-assays.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,YAAY,GAAG,IAAI,CAAC,uBAAuB,EAAE;IACxD,KAAK,EAAE,eAAe;IACtB,WAAW,EACT,oRAAoR;IACtR,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,UAAU,EAAE,CAAC;aACV,IAAI,CAAC,CAAC,YAAY,EAAE,aAAa,EAAE,QAAQ,EAAE,kBAAkB,CAAC,CAAC;aACjE,QAAQ,CACP,0JAA0J,CAC3J;QACH,WAAW,EAAE,CAAC;aACX,MAAM,EAAE;aACR,QAAQ,CACP,mJAAmJ,CACpJ;QACH,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,GAAG,EAAE;aACL,GAAG,CAAC,CAAC,CAAC;aACN,OAAO,CAAC,CAAC,CAAC;aACV,QAAQ,CACP,+HAA+H,CAChI;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,8IAA8I,CAC/I;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,IAAI,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,CAAC,oBAAoB,CAAC;KACzD,CAAC;IACF,2FAA2F;IAC3F,+DAA+D;IAC/D,mFAAmF;IACnF,UAAU,EAAE;QACV,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,QAAQ,CACP,oFAAoF,CACrF;QACH,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6BAA6B,CAAC;QAC/D,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,qDAAqD,CAAC;QACtF,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6CAA6C,CAAC;QAC1E,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,iGAAiG,CAClG;QACH,SAAS,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,gDAAgD,CAAC;QAC5F,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,6BAA6B,CAAC;QACpE,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sCAAsC,CAAC;QAC3E,MAAM,EAAE,CAAC;aACN,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,oKAAoK,CACrK;KACJ;IACD,MAAM,EAAE;QACN;YACE,MAAM,EAAE,oBAAoB;YAC5B,IAAI,EAAE,gBAAgB,CAAC,eAAe;YACtC,IAAI,EAAE,yCAAyC;YAC/C,QAAQ,EACN,yFAAyF;SAC5F;QACD;YACE,MAAM,EAAE,sBAAsB;YAC9B,IAAI,EAAE,gBAAgB,CAAC,eAAe;YACtC,IAAI,EAAE,kEAAkE;YACxE,QAAQ,EACN,6GAA6G;SAChH;KACF;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAElC,sFAAsF;QACtF,MAAM,WAAW,GAAG,KAAK,CAAC,WAAW,CAAC,IAAI,EAAE,CAAC;QAC7C,IAAI,WAAW,CAAC,MAAM,KAAK,CAAC,EAAE,CAAC;YAC7B,MAAM,GAAG,CAAC,IAAI,CAAC,oBAAoB,EAAE,SAAS,EAAE;gBAC9C,GAAG,GAAG,CAAC,WAAW,CAAC,oBAAoB,CAAC;aACzC,CAAC,CAAC;QACL,CAAC;QACD,sFAAsF;QACtF,6DAA6D;QAC7D,IAAI,KAAK,CAAC,UAAU,KAAK,QAAQ,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,WAAW,CAAC,EAAE,CAAC;YAChE,MAAM,GAAG,CAAC,IAAI,CACZ,sBAAsB,EACtB,2CAA2C,KAAK,CAAC,WAAW,sCAAsC,EAClG,EAAE,GAAG,GAAG,CAAC,WAAW,CAAC,sBAAsB,CAAC,EAAE,CAC/C,CAAC;QACJ,CAAC;QAED,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,oBAAoB,CAAC,KAAK,CAAC,UAAU,EAAE,WAAW,CAAC,CAAC;QAEjF,MAAM,UAAU,GAAG,OAAO,CAAC,MAAM,CAAC;QAClC,wFAAwF;QACxF,2EAA2E;QAC3E,MAAM,IAAI,GAAG,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,MAAM,EAAE,KAAK,CAAC,MAAM,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC;QAC1E,MAAM,UAAU,GAAG,KAAK,CAAC,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC;QAC9C,MAAM,OAAO,GAAG,UAAU,GAAG,UAAU,CAAC;QAExC,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,wBAAwB,EAAE;YACrC,UAAU,EAAE,KAAK,CAAC,UAAU;YAC5B,WAAW;YACX,UAAU;YACV,MAAM,EAAE,KAAK,CAAC,MAAM;YACpB,QAAQ,EAAE,IAAI,CAAC,MAAM;SACtB,CAAC,CAAC;QAEH,iFAAiF;QACjF,GAAG,CAAC,MAAM,CAAC,EAAE,UAAU,EAAE,KAAK,CAAC,UAAU,EAAE,WAAW,EAAE,UAAU,EAAE,MAAM,EAAE,KAAK,CAAC,MAAM,EAAE,CAAC,CAAC;QAC5F,IAAI,OAAO;YAAE,GAAG,CAAC,MAAM,CAAC,EAAE,UAAU,EAAE,CAAC,CAAC;QACxC,IAAI,UAAU,KAAK,CAAC,EAAE,CAAC;YACrB,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,wBAAwB,WAAW,MAAM,KAAK,CAAC,UAAU,yKAAyK,CACnO,CAAC;QACJ,CAAC;aAAM,IAAI,IAAI,CAAC,MAAM,KAAK,CAAC,EAAE,CAAC;YAC7B,GAAG,CAAC,MAAM,CAAC,MAAM,CACf,UAAU,KAAK,CAAC,MAAM,gBAAgB,UAAU,sBAAsB,WAAW,2BAA2B,UAAU,GAAG,CAC1H,CAAC;QACJ,CAAC;aAAM,IAAI,OAAO,EAAE,CAAC;YACnB,GAAG,CAAC,MAAM,CAAC,SAAS,CAAC;gBACnB,KAAK,EAAE,IAAI,CAAC,MAAM;gBAClB,GAAG,EAAE,KAAK,CAAC,UAAU;gBACrB,QAAQ,EAAE,gBAAgB,KAAK,CAAC,MAAM,GAAG,CAAC,IAAI,UAAU,OAAO,UAAU,iBAAiB,UAAU,qBAAqB;aAC1H,CAAC,CAAC;QACL,CAAC;QAED,OAAO,EAAE,IAAI,EAAE,CAAC;IAClB,CAAC;IAED,MAAM,CAAC,MAAM;QACX,IAAI,MAAM,CAAC,IAAI,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;YAC3B,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,SAAS,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,EAAE,CAAC,CAAC;QACrE,CAAC;QACD,qFAAqF;QACrF,0CAA0C;QAC1C,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,qBAAqB,EAAE,CAAC,CAAC;IACzD,CAAC;CACF,CAAC,CAAC"}
|
|
@@ -60,7 +60,8 @@ export declare const searchCompounds: import("@cyanheads/mcp-ts-core").ToolDefin
|
|
|
60
60
|
readonly recovery: "Pass a positive integer CID string (e.g. \"2244\"), or set queryType \"smiles\" with a SMILES query.";
|
|
61
61
|
}], {
|
|
62
62
|
readonly searchType: z.ZodString;
|
|
63
|
-
readonly totalFound: z.ZodNumber
|
|
63
|
+
readonly totalFound: z.ZodOptional<z.ZodNumber>;
|
|
64
|
+
readonly totalFoundAtLeast: z.ZodOptional<z.ZodNumber>;
|
|
64
65
|
readonly truncated: z.ZodOptional<z.ZodBoolean>;
|
|
65
66
|
readonly shown: z.ZodOptional<z.ZodNumber>;
|
|
66
67
|
readonly cap: z.ZodOptional<z.ZodNumber>;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"search-compounds.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-compounds.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAgBjE,eAAO,MAAM,eAAe
|
|
1
|
+
{"version":3,"file":"search-compounds.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-compounds.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAgBjE,eAAO,MAAM,eAAe;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EA8Y1B,CAAC"}
|