matvenus-cli 0.1.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/CHANGELOG.md +22 -0
- package/LICENSE +201 -0
- package/README.md +408 -0
- package/bin/cli.js +3 -0
- package/dist/client.d.ts +13 -0
- package/dist/client.js +62 -0
- package/dist/commands/alphafold_protein_folding.d.ts +2 -0
- package/dist/commands/alphafold_protein_folding.js +262 -0
- package/dist/commands/cancel_tool_result.d.ts +2 -0
- package/dist/commands/cancel_tool_result.js +388 -0
- package/dist/commands/diffdock_protein_ligand_docking.d.ts +2 -0
- package/dist/commands/diffdock_protein_ligand_docking.js +252 -0
- package/dist/commands/esmfold_protein_folding.d.ts +2 -0
- package/dist/commands/esmfold_protein_folding.js +219 -0
- package/dist/commands/get_tool_result.d.ts +2 -0
- package/dist/commands/get_tool_result.js +388 -0
- package/dist/commands/gromacs_analysis.d.ts +2 -0
- package/dist/commands/gromacs_analysis.js +212 -0
- package/dist/commands/gromacs_md.d.ts +2 -0
- package/dist/commands/gromacs_md.js +236 -0
- package/dist/commands/index.d.ts +2 -0
- package/dist/commands/index.js +39 -0
- package/dist/commands/predict_functional_residue.d.ts +2 -0
- package/dist/commands/predict_functional_residue.js +234 -0
- package/dist/commands/predict_protein_properties.d.ts +2 -0
- package/dist/commands/predict_protein_properties.js +228 -0
- package/dist/commands/proteinmpnn_sequence_design.d.ts +2 -0
- package/dist/commands/proteinmpnn_sequence_design.js +271 -0
- package/dist/commands/rfdiffusion_protein_design.d.ts +2 -0
- package/dist/commands/rfdiffusion_protein_design.js +333 -0
- package/dist/commands/upload_file_base_64.d.ts +2 -0
- package/dist/commands/upload_file_base_64.js +212 -0
- package/dist/commands/venusg_protein_function_prediction.d.ts +2 -0
- package/dist/commands/venusg_protein_function_prediction.js +234 -0
- package/dist/commands/venusmine_protein_mining.d.ts +2 -0
- package/dist/commands/venusmine_protein_mining.js +212 -0
- package/dist/commands/venusprime_multipoint_prediction.d.ts +2 -0
- package/dist/commands/venusprime_multipoint_prediction.js +322 -0
- package/dist/commands/venusrem_mutation_prediction.d.ts +2 -0
- package/dist/commands/venusrem_mutation_prediction.js +260 -0
- package/dist/commands/venusx_functional_residue_prediction.d.ts +2 -0
- package/dist/commands/venusx_functional_residue_prediction.js +234 -0
- package/dist/index.d.ts +2 -0
- package/dist/index.js +125 -0
- package/dist/types.d.ts +12 -0
- package/dist/types.js +6 -0
- package/package.json +41 -0
package/dist/client.js
ADDED
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.request = request;
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exports.buildPath = buildPath;
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exports.buildQuery = buildQuery;
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async function request(config, options) {
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const url = new URL(options.path, config.baseUrl.endsWith('/') ? config.baseUrl : config.baseUrl + '/');
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const headers = {
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...(options.headers || {}),
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};
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if (!(options.body instanceof FormData) && !headers['Content-Type'] && options.method.toUpperCase() !== 'GET') {
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headers['Content-Type'] = 'application/json';
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}
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// Add authentication from environment variables
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// HTTPBearer: Bearer token
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const HTTPBearerToken = process.env.API_BEARER_TOKEN;
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if (HTTPBearerToken) {
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headers['Authorization'] = `Bearer ${HTTPBearerToken}`;
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}
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const response = await fetch(url.toString(), {
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method: options.method.toUpperCase(),
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headers,
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body: (options.body instanceof FormData || options.body?.pipe)
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? options.body
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: (options.body ? JSON.stringify(options.body) : undefined),
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});
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if (!response.ok) {
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const errorData = await response.json().catch(() => ({}));
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const error = new Error(`API Error: ${response.status} ${response.statusText}`);
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error.status = response.status;
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error.data = errorData;
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throw error;
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}
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if (options.isBinary) {
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return response.body;
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}
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return response.json();
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}
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// Helper to handle path parameters
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function buildPath(template, params) {
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return template.replace(/\{(\w+)\}/g, (_, key) => {
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if (params[key] === undefined) {
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throw new Error(`Missing path parameter: ${key}`);
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}
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return encodeURIComponent(String(params[key]));
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});
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}
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// Helper to build query string
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function buildQuery(params) {
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const searchParams = new URLSearchParams();
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for (const [key, value] of Object.entries(params)) {
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if (value !== undefined && value !== null) {
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if (Array.isArray(value)) {
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value.forEach((item) => searchParams.append(key, String(item)));
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}
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else {
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searchParams.set(key, String(value));
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}
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}
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}
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return searchParams.toString();
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}
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.register = register;
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const client_1 = require("../client");
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function register(program, baseUrl) {
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program
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.command('alphafold-protein-folding')
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.description('Alphafold Folding')
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.option('--body <json>', 'Request body as JSON string', (value) => value)
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.option('--base-url <url>', 'Override base URL')
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.option('--output <format>', 'Output format: json, table', 'json')
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.option('--schema', 'Show API schema and exit')
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.action(async (options) => {
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if (options.schema) {
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console.log(JSON.stringify({
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"method": "post",
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"operationId": "alphafold_protein_folding",
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"summary": "Alphafold Folding",
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"tags": [
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"tools-predict"
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],
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"parameters": [],
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"requestBody": {
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"required": true,
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"contentType": "application/json",
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"schema": {
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"properties": {
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"model_version": {
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"type": "string",
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"title": "Model Version",
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"description": "AlphaFold version to use: 'alphafold2' or 'alphafold3'",
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"default": "alphafold2"
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},
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"sequence": {
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"anyOf": [
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{
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"type": "string"
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},
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{
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"type": "null"
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}
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],
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"title": "Sequence",
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"description": "Protein sequence in single letter amino acid code (for simple single-chain prediction)"
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},
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"fasta_file": {
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"anyOf": [
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{
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"type": "string"
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},
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{
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"type": "null"
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}
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],
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"title": "Fasta File",
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"description": "OSS URL to FASTA file (.fasta, .fa, or .faa) (for simple single/multi-chain prediction)"
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},
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"sequences": {
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"anyOf": [
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{
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"items": {
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"additionalProperties": true,
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"type": "object"
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},
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"type": "array"
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},
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{
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"type": "null"
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}
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],
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"title": "Sequences",
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"description": "List of sequence entities for multi-chain prediction. For AlphaFold2: Only protein chains are supported (DNA/RNA/ligands ignored). For AlphaFold3: Full support for proteins, DNA, RNA, and ligands. Each entity can be: {'protein': {'id': 'A', 'sequence': 'PVLSCGEWQL', 'description': 'Chain A', 'modifications': [{'ptmType': 'HY3', 'ptmPosition': 1}], 'unpairedMsa': '...', 'pairedMsa': '...', 'templates': [...]}} {'dna': {'id': 'C', 'sequence': 'GACCTCT', 'modifications': [{'modificationType': '6OG', 'basePosition': 1}], 'unpairedMsa': '...'}} (AF3 only) {'rna': {'id': 'E', 'sequence': 'AGCU', 'modifications': [{'modificationType': '2MG', 'basePosition': 1}], 'unpairedMsa': '...'}} (AF3 only) {'ligand': {'id': ['F', 'G'], 'ccdCodes': ['ATP']}} or {'ligand': {'id': 'Z', 'smiles': 'CC(=O)OC1C[NH+]2CCC1CC2'}} (AF3 only)"
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},
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"model_seeds": {
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"anyOf": [
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{
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"items": {
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"type": "integer"
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},
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"type": "array"
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},
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"type": "null"
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}
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],
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"title": "Model Seeds",
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"description": "Random seeds for AlphaFold3 prediction (default: [42])",
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"default": [
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42
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]
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}
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},
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"type": "object",
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"title": "AlphaFoldInput",
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"description": "Input for AlphaFold2/3 protein structure prediction"
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},
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"isBinary": false
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},
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"responses": [
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{
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"statusCode": "200",
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"description": "Successful Response",
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"contentType": "application/json",
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"schema": {
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"properties": {
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"tool_call_id": {
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"type": "string",
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"title": "Tool Call Id",
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"description": "系统生成的调用唯一ID"
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},
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"description": "调用状态: running, success, error 等",
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"pending",
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"running",
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"success",
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"error"
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],
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"title": "ToolResultStatus"
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},
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"result": {
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{},
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"type": "null"
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}
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],
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"title": "Result",
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"description": "如果即时成功,这里是工具的返回结果字典"
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},
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"error_message": {
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"type": "string"
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"type": "null"
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}
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],
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"title": "Error Message",
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"description": "如果有错误,提供错误信息"
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},
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"credits_cost": {
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"type": "number"
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}
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],
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"title": "Credits Cost",
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"description": "消费积分"
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},
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"tool_name": {
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"type": "string",
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"title": "Tool Name",
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"description": "执行的工具名"
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}
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"required": [
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"tool_call_id",
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"status",
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"tool_name"
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],
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"title": "ToolInvokeResponse"
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"isBinary": false
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},
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{
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"statusCode": "422",
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"description": "Validation Error",
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"contentType": "application/json",
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"schema": {
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"properties": {
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"detail": {
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"items": {
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"properties": {
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"loc": {
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"items": {
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"anyOf": [
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"type": "integer"
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}
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]
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},
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"type": "array",
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"title": "Location"
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},
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"msg": {
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"type": "string",
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"title": "Message"
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"type": {
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"title": "Error Type"
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}
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},
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"type": "object",
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"required": [
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"loc",
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"msg",
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"type"
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],
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"title": "ValidationError"
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},
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"type": "array",
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"title": "Detail"
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}
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},
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"title": "HTTPValidationError"
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},
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"isBinary": false
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}
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],
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"security": [
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"HTTPBearer"
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]
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}, null, 2));
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return;
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}
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try {
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const currentBaseUrl = options.baseUrl || baseUrl;
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const config = { baseUrl: currentBaseUrl };
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const path = '/api/tools/predict/alphafold';
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const url = path;
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const body = options.body ? JSON.parse(options.body) : undefined;
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const response = await (0, client_1.request)(config, {
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+
method: 'post',
|
|
236
|
+
path: url,
|
|
237
|
+
headers: undefined,
|
|
238
|
+
body: body,
|
|
239
|
+
isBinary: false,
|
|
240
|
+
});
|
|
241
|
+
const data = response;
|
|
242
|
+
if (options.output === 'json') {
|
|
243
|
+
console.log(JSON.stringify(data, null, 2));
|
|
244
|
+
}
|
|
245
|
+
else {
|
|
246
|
+
console.log(data);
|
|
247
|
+
}
|
|
248
|
+
}
|
|
249
|
+
catch (error) {
|
|
250
|
+
if (error.status) {
|
|
251
|
+
console.error('API Error:', error.status, error.message);
|
|
252
|
+
if (error.data) {
|
|
253
|
+
console.error(JSON.stringify(error.data, null, 2));
|
|
254
|
+
}
|
|
255
|
+
}
|
|
256
|
+
else {
|
|
257
|
+
console.error('Error:', error.message);
|
|
258
|
+
}
|
|
259
|
+
process.exit(1);
|
|
260
|
+
}
|
|
261
|
+
});
|
|
262
|
+
}
|