react-cheminfo 0.64.1 → 0.66.0

package/lib/moleculesClient/core/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/moleculesClient/core/index.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAC7D,YAAY,EACV,eAAe,EACf,sBAAsB,GACvB,MAAM,yBAAyB,CAAC;AACjC,OAAO,EAAE,cAAc,EAAE,MAAM,yBAAyB,CAAC;AACzD,YAAY,EACV,aAAa,EACb,WAAW,EACX,cAAc,EACd,YAAY,EACZ,YAAY,EACZ,aAAa,EACb,aAAa,EACb,YAAY,EACZ,cAAc,EACd,YAAY,EACZ,aAAa,GACd,MAAM,qBAAqB,CAAC"}

package/lib/moleculesClient/core/index.js

@@ -0,0 +1,3 @@
+export { createMoleculesClient } from "./moleculesClient.js";
+export { MoleculesError } from "./moleculesClientApi.js";
+//# sourceMappingURL=index.js.map

package/lib/moleculesClient/core/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/moleculesClient/core/index.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAK7D,OAAO,EAAE,cAAc,EAAE,MAAM,yBAAyB,CAAC"}

package/lib/moleculesClient/core/moleculesClient.d.ts

@@ -0,0 +1,12 @@
+import type { MoleculesClient, MoleculesClientOptions } from './moleculesClientApi.ts';
+/**
+ * A client of the routes a source writes through on molecules.cheminfo.org,
+ * retrying while the server is busy (503), throttling (429), being restarted
+ * (502, 504) or out of reach. Each attempt has its own deadline, the pauses
+ * double with a spread and honour `Retry-After`, and bodies travel gzipped.
+ * Browser-safe: it reads no Node module.
+ * @param options - Where it answers, the token, and how hard to insist.
+ * @returns The client.
+ */
+export declare function createMoleculesClient(options: MoleculesClientOptions): MoleculesClient;
+//# sourceMappingURL=moleculesClient.d.ts.map

package/lib/moleculesClient/core/moleculesClient.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"moleculesClient.d.ts","sourceRoot":"","sources":["../../../src/moleculesClient/core/moleculesClient.ts"],"names":[],"mappings":"AAIA,OAAO,KAAK,EACV,eAAe,EACf,sBAAsB,EACvB,MAAM,yBAAyB,CAAC;AA0CjC;;;;;;;;GAQG;AACH,wBAAgB,qBAAqB,CACnC,OAAO,EAAE,sBAAsB,GAC9B,eAAe,CAkHjB"}

package/lib/moleculesClient/core/moleculesClient.js

@@ -0,0 +1,105 @@
+import { XSadd } from 'ml-xsadd';
+import { trimTrailingSlash } from "../../router/core/address.js";
+import { MoleculesError } from "./moleculesClientApi.js";
+import { causeOf, gzipBody, messageOf, pause, requestSignal, retryAfter, } from "./requestRetry.js";
+/** Statuses a request is tried again on: the server is busy or in between. */
+const RETRIED_STATUSES = new Set([429, 502, 503, 504]);
+/** The doublings of the pause, after which it stays where it is. */
+const MAX_DOUBLINGS = 20;
+/**
+ * A client of the routes a source writes through on molecules.cheminfo.org,
+ * retrying while the server is busy (503), throttling (429), being restarted
+ * (502, 504) or out of reach. Each attempt has its own deadline, the pauses
+ * double with a spread and honour `Retry-After`, and bodies travel gzipped.
+ * Browser-safe: it reads no Node module.
+ * @param options - Where it answers, the token, and how hard to insist.
+ * @returns The client.
+ */
+export function createMoleculesClient(options) {
+    const { token, maxRetryMs = 1_800_000, initialDelayMs = 1000, maxDelayMs = 60_000, requestTimeoutMs = 600_000, signal, onRetry, fetch: fetchImplementation = globalThis.fetch, random = new XSadd().random, } = options;
+    const baseUrl = trimTrailingSlash(options.baseUrl);
+    async function attemptOnce(call) {
+        let response;
+        try {
+            response = await fetchImplementation(`${baseUrl}${call.path}`, {
+                method: call.method,
+                headers: {
+                    authorization: `Bearer ${token}`,
+                    ...(call.payload === undefined
+                        ? {}
+                        : {
+                            'content-type': 'application/json',
+                            'content-encoding': 'gzip',
+                        }),
+                },
+                body: call.payload,
+                signal: requestSignal(signal, requestTimeoutMs),
+            });
+            if (response.ok) {
+                return { answered: true, value: (await response.json()) };
+            }
+        }
+        catch (error) {
+            if (signal?.aborted)
+                throw signal.reason;
+            return {
+                answered: false,
+                status: undefined,
+                reason: causeOf(error),
+                retryAfterMs: undefined,
+            };
+        }
+        const text = await response.text();
+        const reason = messageOf(text) ?? response.statusText;
+        if (!RETRIED_STATUSES.has(response.status)) {
+            throw new MoleculesError(`${call.method} ${call.path} answered ${response.status}: ${reason}`, response.status, text);
+        }
+        const asked = retryAfter(response.headers.get('retry-after'), Date.now());
+        return {
+            answered: false,
+            status: response.status,
+            reason,
+            retryAfterMs: asked,
+        };
+    }
+    async function attempt(call, number) {
+        signal?.throwIfAborted();
+        const outcome = await attemptOnce(call);
+        if (outcome.answered)
+            return outcome.value;
+        const backoff = initialDelayMs *
+            2 ** Math.min(number - 1, MAX_DOUBLINGS) *
+            (0.5 + random() * 0.5);
+        const delayMs = Math.min(maxDelayMs, outcome.retryAfterMs ?? backoff);
+        const elapsed = Date.now() - call.started;
+        if (elapsed + delayMs > maxRetryMs) {
+            throw new MoleculesError(`${call.method} ${call.path} kept failing for ${Math.round(elapsed / 1000)} s: ${outcome.reason}`, outcome.status ?? 0, outcome.reason);
+        }
+        onRetry?.({
+            method: call.method,
+            path: call.path,
+            attempt: number,
+            status: outcome.status,
+            reason: outcome.reason,
+            delayMs,
+        });
+        await pause(delayMs, signal);
+        return attempt(call, number + 1);
+    }
+    async function request(method, path, body) {
+        const started = Date.now();
+        const payload = body === undefined ? undefined : await gzipBody(JSON.stringify(body));
+        return attempt({ method, path, payload, started }, 1);
+    }
+    return {
+        startImport: () => request('POST', '/v1/imports'),
+        importState: () => request('GET', '/v1/imports'),
+        submit: (molecules, { returnInfo = false } = {}) => request('POST', '/v1/submit', { molecules, returnInfo }),
+        lookup: (queries, kind) => request('POST', '/v1/batch', { queries, kind }),
+        purge: (importKey, { dryRun = false, force = false } = {}) => request('POST', `/v1/imports/${importKey}/purge`, {
+            dryRun,
+            force,
+        }),
+    };
+}
+//# sourceMappingURL=moleculesClient.js.map

package/lib/moleculesClient/core/moleculesClient.js.map

@@ -0,0 +1 @@
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package/lib/moleculesClient/core/moleculesClientApi.d.ts

@@ -0,0 +1,100 @@
+import type { ImportStarted, ImportState, LookupResponse, MoleculeInput, PurgeResponse, RetryDetails, SubmitResponse } from './moleculesTypes.ts';
+/** How a client reaches molecules.cheminfo.org, and how hard it insists. */
+export interface MoleculesClientOptions {
+    /** Where molecules.cheminfo.org answers, e.g. `https://molecules.cheminfo.org`. */
+    baseUrl: string;
+    /** The token issued for the source the client writes for. */
+    token: string;
+    /**
+     * How long one request may keep being retried while the server is busy or
+     * unreachable, in milliseconds.
+     * @default 1_800_000 - half an hour
+     */
+    maxRetryMs?: number;
+    /**
+     * The first pause before a retry; each next one doubles, up to `maxDelayMs`.
+     * @default 1000
+     */
+    initialDelayMs?: number;
+    /**
+     * The longest pause between two attempts, a `Retry-After` included.
+     * @default 60_000
+     */
+    maxDelayMs?: number;
+    /**
+     * How long one attempt may take before it is given up and retried.
+     * @default 600_000
+     */
+    requestTimeoutMs?: number;
+    /**
+     * Stops every request, and every pause between two attempts.
+     * @default undefined - nothing stops them
+     */
+    signal?: AbortSignal;
+    /**
+     * Told about every retry, e.g. to log it.
+     * @default undefined - retries are silent
+     */
+    onRetry?: (details: RetryDetails) => void;
+    /**
+     * The fetch to use, for tests.
+     * @default globalThis.fetch
+     */
+    fetch?: typeof fetch;
+    /**
+     * A number from 0 to 1 that spreads the pauses, so clients that failed
+     * together do not all come back at the same instant.
+     * @default an unseeded `XSadd`
+     */
+    random?: () => number;
+}
+/** The routes a source writes through on molecules.cheminfo.org. */
+export interface MoleculesClient {
+    /** Take the source's next import key: the start of a full import. */
+    startImport: () => Promise<ImportStarted>;
+    /** Where the source's import stands. */
+    importState: () => Promise<ImportState>;
+    /**
+     * Send up to 1000 molecules for the source, under its current import key.
+     * @param molecules - Each with its identifier and exactly one notation.
+     * @param options - Whether every answer carries the molecule's properties.
+     * @param options.returnInfo - Ask for them; `false` by default.
+     */
+    submit: (molecules: MoleculeInput[], options?: {
+        returnInfo?: boolean;
+    }) => Promise<SubmitResponse>;
+    /**
+     * Compute up to 1000 molecules without storing anything, for a source
+     * molecules.cheminfo.org imports itself.
+     * @param queries - The structures, all in one notation.
+     * @param kind - The notation.
+     */
+    lookup: (queries: string[], kind: 'smiles' | 'molfile' | 'idCode') => Promise<LookupResponse>;
+    /**
+     * Remove the entries an import did not send again.
+     * @param importKey - The key the import took.
+     * @param options - Only count, or remove even more than half.
+     * @param options.dryRun - Only count; `false` by default.
+     * @param options.force - Remove even when that is more than half; `false` by
+     * default.
+     */
+    purge: (importKey: number, options?: {
+        dryRun?: boolean;
+        force?: boolean;
+    }) => Promise<PurgeResponse>;
+}
+/** A request molecules.cheminfo.org refused, or that kept failing. */
+export declare class MoleculesError extends Error {
+    /** The status answered, or 0 when nothing was. */
+    readonly status: number;
+    /** What the server said, as text. */
+    readonly body: string;
+    /**
+     * A failed request, with what the server answered.
+     * @param message - What failed, and why.
+     * @param status - The status answered, or 0 when nothing was.
+     * @param body - What the server said.
+     */
+    constructor(message: string, status: number, body: string);
+}
+//# sourceMappingURL=moleculesClientApi.d.ts.map

package/lib/moleculesClient/core/moleculesClientApi.d.ts.map

@@ -0,0 +1 @@
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package/lib/moleculesClient/core/moleculesClientApi.js

@@ -0,0 +1,20 @@
+/** A request molecules.cheminfo.org refused, or that kept failing. */
+export class MoleculesError extends Error {
+    /** The status answered, or 0 when nothing was. */
+    status;
+    /** What the server said, as text. */
+    body;
+    /**
+     * A failed request, with what the server answered.
+     * @param message - What failed, and why.
+     * @param status - The status answered, or 0 when nothing was.
+     * @param body - What the server said.
+     */
+    constructor(message, status, body) {
+        super(message);
+        this.name = 'MoleculesError';
+        this.status = status;
+        this.body = body;
+    }
+}
+//# sourceMappingURL=moleculesClientApi.js.map

package/lib/moleculesClient/core/moleculesClientApi.js.map

@@ -0,0 +1 @@
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package/lib/moleculesClient/core/moleculesTypes.d.ts

@@ -0,0 +1,154 @@
+/** One molecule a source sends: its identifier, and exactly one notation. */
+export interface MoleculeInput {
+    /** The source's identifier for it, which its address is written with. */
+    id: string;
+    /**
+     * The structure as SMILES.
+     * @default undefined - another notation is given
+     */
+    smiles?: string;
+    /**
+     * The structure as a molfile.
+     * @default undefined - another notation is given
+     */
+    molfile?: string;
+    /**
+     * The structure as an OpenChemLib idCode.
+     * @default undefined - another notation is given
+     */
+    idCode?: string;
+}
+/** What molecules.cheminfo.org computed for a structure. */
+export interface MoleculeInfo {
+    mf: string;
+    mw: number;
+    em: number;
+    charge: number;
+    idCode: string;
+    noStereoID: string;
+    noStereoTautomerID: string;
+    failedTautomerID: number;
+    /** The 512-bit FragFp, sixteen signed 32-bit words. */
+    ssIndex: number[];
+    logS: number;
+    logP: number;
+    acceptorCount: number;
+    donorCount: number;
+    stereoCenterCount: number;
+    rotatableBondCount: number;
+    polarSurfaceArea: number;
+    nbFragments: number;
+    /**
+     * The degree of unsaturation, when the formula has one.
+     * @default undefined
+     */
+    unsaturation?: number;
+    atoms: Record<string, number>;
+    /** The hashes, as 16 hex digits: never JSON numbers, which would round them. */
+    idCodeHash: string;
+    noStereoHash: string;
+    noStereoTautomerHash: string;
+    createdAt: number | null;
+}
+/** What became of one molecule a source sent. */
+export interface SubmitResult {
+    id: string | null;
+    /**
+     * The structure it was read as.
+     * @default undefined - it could not be read
+     */
+    idCode?: string;
+    /**
+     * Whether molecules.cheminfo.org held the structure already.
+     * @default undefined - it could not be read
+     */
+    molecule?: 'created' | 'existing';
+    /**
+     * What became of the source's entry.
+     * @default undefined - it could not be read
+     */
+    link?: 'added' | 'unchanged' | 'moved';
+    /**
+     * The computed properties, when they were asked for.
+     * @default undefined
+     */
+    info?: MoleculeInfo;
+    /**
+     * Why the molecule was refused.
+     * @default undefined - it was taken
+     */
+    error?: string;
+}
+/** How a batch was taken. */
+export interface SubmitSummary {
+    total: number;
+    /** Molecules new to molecules.cheminfo.org. */
+    created: number;
+    /** Entries new to the source. */
+    added: number;
+    /** Identifiers moved to another structure. */
+    moved: number;
+    unchanged: number;
+    failed: number;
+}
+/** What `POST /v1/submit` answers: one result per molecule, in their order. */
+export interface SubmitResponse {
+    source: string;
+    results: SubmitResult[];
+    summary: SubmitSummary;
+}
+/** What `POST /v1/imports` answers: the start of a full import. */
+export interface ImportStarted {
+    source: string;
+    importKey: number;
+    importStartedAt: number;
+}
+/** What `GET /v1/imports` answers: where the source's import stands. */
+export interface ImportState {
+    source: string;
+    importKey: number;
+    importStartedAt: number | null;
+    updatedAt: number | null;
+    entries: number;
+    stale: number;
+}
+/** What a purge answers. */
+export interface PurgeResponse {
+    source: string;
+    importKey: number;
+    dryRun: boolean;
+    /** The entries the import did not send again, removed or to be removed. */
+    removed: number;
+    /** The entries the source holds after. */
+    remaining: number;
+}
+/** One answer of `POST /v1/batch`: the molecule a query reads as, or why not. */
+export interface LookupResult {
+    query: string;
+    result: MoleculeInfo | null;
+    /** Whether molecules.cheminfo.org lists it, rather than computing it now. */
+    cached: boolean;
+    /**
+     * Why the query could not be read.
+     * @default undefined - it was read
+     */
+    error?: string;
+}
+/** What `POST /v1/batch` answers: one result per query, in their order. */
+export interface LookupResponse {
+    results: LookupResult[];
+}
+/** Why a request is tried again, and when. */
+export interface RetryDetails {
+    method: string;
+    path: string;
+    attempt: number;
+    /**
+     * The status that was answered.
+     * @default undefined - nothing was answered
+     */
+    status?: number;
+    reason: string;
+    delayMs: number;
+}
+//# sourceMappingURL=moleculesTypes.d.ts.map

package/lib/moleculesClient/core/moleculesTypes.d.ts.map

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package/lib/moleculesClient/core/moleculesTypes.js

@@ -0,0 +1,2 @@
+export {};
+//# sourceMappingURL=moleculesTypes.js.map

package/lib/moleculesClient/core/moleculesTypes.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"moleculesTypes.js","sourceRoot":"","sources":["../../../src/moleculesClient/core/moleculesTypes.ts"],"names":[],"mappings":""}

package/lib/moleculesClient/core/requestRetry.d.ts

@@ -0,0 +1,50 @@
+/**
+ * The pieces of a request that is tried again: its deadline, the pause the
+ * server asks for, what an error answer says, and what a failed fetch says.
+ * Browser-safe: no Node module is read.
+ */
+/**
+ * The signal one attempt runs under: the caller's, and its own deadline.
+ * @param signal - The caller's, if any.
+ * @param timeoutMs - How long the attempt may take.
+ * @returns The signal.
+ */
+export declare function requestSignal(signal: AbortSignal | undefined, timeoutMs: number): AbortSignal;
+/**
+ * How long a `Retry-After` header asks to wait.
+ * @param header - Its value: seconds, or an HTTP date.
+ * @param now - The current instant, in epoch milliseconds.
+ * @returns The pause in milliseconds, or `undefined` when there is none to read.
+ */
+export declare function retryAfter(header: string | null, now: number): number | undefined;
+/**
+ * The message of an error body Fastify wrote, or the body itself.
+ * @param text - The body.
+ * @returns The message, or `undefined` when the body is empty.
+ */
+export declare function messageOf(text: string): string | undefined;
+/**
+ * What a failed fetch says, its cause included: undici reports a refused
+ * connection as `fetch failed` with the reason in `cause` — and when several
+ * addresses were tried, in the first error of an AggregateError whose own
+ * message is empty.
+ * @param error - What was thrown.
+ * @returns The message, e.g. `fetch failed: connect ECONNREFUSED 127.0.0.1:11980`.
+ */
+export declare function causeOf(error: unknown): string;
+/**
+ * A request body gzipped, as HTTP's `Content-Encoding: gzip` carries it: a
+ * batch of molfiles shrinks several times over.
+ * @param text - The body, written out.
+ * @returns The gzipped bytes.
+ */
+export declare function gzipBody(text: string): Promise<Uint8Array<ArrayBuffer>>;
+/**
+ * Wait, unless the signal stops the wait first.
+ * @param milliseconds - How long.
+ * @param signal - What stops it, if anything.
+ * @returns When the time has passed.
+ * @throws {unknown} The signal's reason, when it aborts first.
+ */
+export declare function pause(milliseconds: number, signal: AbortSignal | undefined): Promise<void>;
+//# sourceMappingURL=requestRetry.d.ts.map

package/lib/moleculesClient/core/requestRetry.d.ts.map

@@ -0,0 +1 @@
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package/lib/moleculesClient/core/requestRetry.js

@@ -0,0 +1,108 @@
+import { toError } from "../../error/core/toError.js";
+/**
+ * The pieces of a request that is tried again: its deadline, the pause the
+ * server asks for, what an error answer says, and what a failed fetch says.
+ * Browser-safe: no Node module is read.
+ */
+/**
+ * The signal one attempt runs under: the caller's, and its own deadline.
+ * @param signal - The caller's, if any.
+ * @param timeoutMs - How long the attempt may take.
+ * @returns The signal.
+ */
+export function requestSignal(signal, timeoutMs) {
+    const timeout = AbortSignal.timeout(timeoutMs);
+    return signal === undefined ? timeout : AbortSignal.any([signal, timeout]);
+}
+/**
+ * How long a `Retry-After` header asks to wait.
+ * @param header - Its value: seconds, or an HTTP date.
+ * @param now - The current instant, in epoch milliseconds.
+ * @returns The pause in milliseconds, or `undefined` when there is none to read.
+ */
+export function retryAfter(header, now) {
+    if (header === null || header.trim() === '')
+        return undefined;
+    const seconds = Number(header);
+    if (Number.isFinite(seconds))
+        return Math.max(0, seconds * 1000);
+    const date = Date.parse(header);
+    return Number.isNaN(date) ? undefined : Math.max(0, date - now);
+}
+/**
+ * The message of an error body Fastify wrote, or the body itself.
+ * @param text - The body.
+ * @returns The message, or `undefined` when the body is empty.
+ */
+export function messageOf(text) {
+    if (text.trim() === '')
+        return undefined;
+    try {
+        const body = JSON.parse(text);
+        if (typeof body?.message === 'string')
+            return body.message;
+    }
+    catch {
+        return text.slice(0, 500);
+    }
+    return text.slice(0, 500);
+}
+/**
+ * What a failed fetch says, its cause included: undici reports a refused
+ * connection as `fetch failed` with the reason in `cause` — and when several
+ * addresses were tried, in the first error of an AggregateError whose own
+ * message is empty.
+ * @param error - What was thrown.
+ * @returns The message, e.g. `fetch failed: connect ECONNREFUSED 127.0.0.1:11980`.
+ */
+export function causeOf(error) {
+    if (!(error instanceof Error))
+        return String(error);
+    const { cause, message } = error;
+    if (!(cause instanceof Error))
+        return message;
+    const first = cause instanceof AggregateError ? cause.errors[0] : undefined;
+    const code = cause.code;
+    const detail = cause.message ||
+        (first instanceof Error ? first.message : '') ||
+        (typeof code === 'string' ? code : '') ||
+        cause.name;
+    return `${message}: ${detail}`;
+}
+/**
+ * A request body gzipped, as HTTP's `Content-Encoding: gzip` carries it: a
+ * batch of molfiles shrinks several times over.
+ * @param text - The body, written out.
+ * @returns The gzipped bytes.
+ */
+export async function gzipBody(text) {
+    const stream = new Blob([text])
+        .stream()
+        .pipeThrough(new CompressionStream('gzip'));
+    return new Uint8Array(await new Response(stream).arrayBuffer());
+}
+/**
+ * Wait, unless the signal stops the wait first.
+ * @param milliseconds - How long.
+ * @param signal - What stops it, if anything.
+ * @returns When the time has passed.
+ * @throws {unknown} The signal's reason, when it aborts first.
+ */
+export function pause(milliseconds, signal) {
+    return new Promise((done, fail) => {
+        if (signal?.aborted) {
+            fail(toError(signal.reason));
+            return;
+        }
+        const abort = () => {
+            clearTimeout(timer);
+            fail(toError(signal?.reason));
+        };
+        const timer = setTimeout(() => {
+            signal?.removeEventListener('abort', abort);
+            done();
+        }, milliseconds);
+        signal?.addEventListener('abort', abort, { once: true });
+    });
+}
+//# sourceMappingURL=requestRetry.js.map

package/lib/moleculesClient/core/requestRetry.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"requestRetry.js","sourceRoot":"","sources":["../../../src/moleculesClient/core/requestRetry.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,OAAO,EAAE,MAAM,6BAA6B,CAAC;AAEtD;;;;GAIG;AAEH;;;;;GAKG;AACH,MAAM,UAAU,aAAa,CAC3B,MAA+B,EAC/B,SAAiB;IAEjB,MAAM,OAAO,GAAG,WAAW,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC;IAC/C,OAAO,MAAM,KAAK,SAAS,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC,CAAC;AAC7E,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,UAAU,CACxB,MAAqB,EACrB,GAAW;IAEX,IAAI,MAAM,KAAK,IAAI,IAAI,MAAM,CAAC,IAAI,EAAE,KAAK,EAAE;QAAE,OAAO,SAAS,CAAC;IAC9D,MAAM,OAAO,GAAG,MAAM,CAAC,MAAM,CAAC,CAAC;IAC/B,IAAI,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC;QAAE,OAAO,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,OAAO,GAAG,IAAI,CAAC,CAAC;IACjE,MAAM,IAAI,GAAG,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;IAChC,OAAO,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,IAAI,GAAG,GAAG,CAAC,CAAC;AAClE,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,SAAS,CAAC,IAAY;IACpC,IAAI,IAAI,CAAC,IAAI,EAAE,KAAK,EAAE;QAAE,OAAO,SAAS,CAAC;IACzC,IAAI,CAAC;QACH,MAAM,IAAI,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,CAAiC,CAAC;QAC9D,IAAI,OAAO,IAAI,EAAE,OAAO,KAAK,QAAQ;YAAE,OAAO,IAAI,CAAC,OAAO,CAAC;IAC7D,CAAC;IAAC,MAAM,CAAC;QACP,OAAO,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;IAC5B,CAAC;IACD,OAAO,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;AAC5B,CAAC;AAED;;;;;;;GAOG;AACH,MAAM,UAAU,OAAO,CAAC,KAAc;IACpC,IAAI,CAAC,CAAC,KAAK,YAAY,KAAK,CAAC;QAAE,OAAO,MAAM,CAAC,KAAK,CAAC,CAAC;IACpD,MAAM,EAAE,KAAK,EAAE,OAAO,EAAE,GAAG,KAAK,CAAC;IACjC,IAAI,CAAC,CAAC,KAAK,YAAY,KAAK,CAAC;QAAE,OAAO,OAAO,CAAC;IAC9C,MAAM,KAAK,GACT,KAAK,YAAY,cAAc,CAAC,CAAC,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAChE,MAAM,IAAI,GAAI,KAA4B,CAAC,IAAI,CAAC;IAChD,MAAM,MAAM,GACV,KAAK,CAAC,OAAO;QACb,CAAC,KAAK,YAAY,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,CAAC;QAC7C,CAAC,OAAO,IAAI,KAAK,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC;QACtC,KAAK,CAAC,IAAI,CAAC;IACb,OAAO,GAAG,OAAO,KAAK,MAAM,EAAE,CAAC;AACjC,CAAC;AAED;;;;;GAKG;AACH,MAAM,CAAC,KAAK,UAAU,QAAQ,CAAC,IAAY;IACzC,MAAM,MAAM,GAAG,IAAI,IAAI,CAAC,CAAC,IAAI,CAAC,CAAC;SAC5B,MAAM,EAAE;SACR,WAAW,CAAC,IAAI,iBAAiB,CAAC,MAAM,CAAC,CAAC,CAAC;IAC9C,OAAO,IAAI,UAAU,CAAC,MAAM,IAAI,QAAQ,CAAC,MAAM,CAAC,CAAC,WAAW,EAAE,CAAC,CAAC;AAClE,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,KAAK,CACnB,YAAoB,EACpB,MAA+B;IAE/B,OAAO,IAAI,OAAO,CAAC,CAAC,IAAI,EAAE,IAAI,EAAE,EAAE;QAChC,IAAI,MAAM,EAAE,OAAO,EAAE,CAAC;YACpB,IAAI,CAAC,OAAO,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC;YAC7B,OAAO;QACT,CAAC;QACD,MAAM,KAAK,GAAG,GAAG,EAAE;YACjB,YAAY,CAAC,KAAK,CAAC,CAAC;YACpB,IAAI,CAAC,OAAO,CAAC,MAAM,EAAE,MAAM,CAAC,CAAC,CAAC;QAChC,CAAC,CAAC;QACF,MAAM,KAAK,GAAG,UAAU,CAAC,GAAG,EAAE;YAC5B,MAAM,EAAE,mBAAmB,CAAC,OAAO,EAAE,KAAK,CAAC,CAAC;YAC5C,IAAI,EAAE,CAAC;QACT,CAAC,EAAE,YAAY,CAAC,CAAC;QACjB,MAAM,EAAE,gBAAgB,CAAC,OAAO,EAAE,KAAK,EAAE,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC,CAAC;IAC3D,CAAC,CAAC,CAAC;AACL,CAAC"}

package/lib/molstar/core/camera.d.ts

@@ -24,9 +24,10 @@ export declare const MINIMUM_FRAMING_RADIUS = 0.5;
  * measured against — so reading a camera and applying it are the same move in
  * opposite directions.
  * @param radius - Radius of the scene's visible bounding sphere.
+ * @param margin - Fraction of the radius kept as breathing room.
  * @returns The framed radius.
  */
-export declare function framedRadius(radius: number): number;
+export declare function framedRadius(radius: number, margin?: number): number;
 /**
  * Turn the automatic spin on or off. It moves the camera, never the object.
  * @param plugin - The molstar context.

package/lib/molstar/core/camera.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"camera.d.ts","sourceRoot":"","sources":["../../../src/molstar/core/camera.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAGH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAEvE,8EAA8E;AAC9E,eAAO,MAAM,uBAAuB,MAAM,CAAC;AAE3C,gFAAgF;AAChF,eAAO,MAAM,kBAAkB,QAAQ,CAAC;AAExC;;;;;;;GAOG;AACH,eAAO,MAAM,cAAc,OAAO,CAAC;AAEnC,uEAAuE;AACvE,eAAO,MAAM,sBAAsB,MAAM,CAAC;AAK1C;;;;;;GAMG;AACH,wBAAgB,YAAY,CAAC,MAAM,EAAE,MAAM,GAAG,MAAM,CAEnD;AAED;;;;;GAKG;AACH,wBAAgB,OAAO,CACrB,MAAM,EAAE,aAAa,EACrB,QAAQ,EAAE,OAAO,EACjB,KAAK,SAAqB,GACzB,IAAI,CAQN"}
+{"version":3,"file":"camera.d.ts","sourceRoot":"","sources":["../../../src/molstar/core/camera.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAGH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAEvE,8EAA8E;AAC9E,eAAO,MAAM,uBAAuB,MAAM,CAAC;AAE3C,gFAAgF;AAChF,eAAO,MAAM,kBAAkB,QAAQ,CAAC;AAExC;;;;;;;GAOG;AACH,eAAO,MAAM,cAAc,OAAO,CAAC;AAEnC,uEAAuE;AACvE,eAAO,MAAM,sBAAsB,MAAM,CAAC;AAK1C;;;;;;;GAOG;AACH,wBAAgB,YAAY,CAAC,MAAM,EAAE,MAAM,EAAE,MAAM,SAAiB,GAAG,MAAM,CAE5E;AAED;;;;;GAKG;AACH,wBAAgB,OAAO,CACrB,MAAM,EAAE,aAAa,EACrB,QAAQ,EAAE,OAAO,EACjB,KAAK,SAAqB,GACzB,IAAI,CAQN"}

package/lib/molstar/core/camera.js

@@ -26,10 +26,11 @@ const SPIN_AXIS = Vec3.create(0, 1, 0);
  * measured against — so reading a camera and applying it are the same move in
  * opposite directions.
  * @param radius - Radius of the scene's visible bounding sphere.
+ * @param margin - Fraction of the radius kept as breathing room.
  * @returns The framed radius.
  */
-export function framedRadius(radius) {
-    return Math.max(radius * (1 + FRAMING_MARGIN), MINIMUM_FRAMING_RADIUS);
+export function framedRadius(radius, margin = FRAMING_MARGIN) {
+    return Math.max(radius * (1 + margin), MINIMUM_FRAMING_RADIUS);
 }
 /**
  * Turn the automatic spin on or off. It moves the camera, never the object.