react-cheminfo 0.51.0 → 0.53.0

package/lib/host/core/hostStructure.js

@@ -0,0 +1,106 @@
+/**
+ * A structure a host handed over, read into the molecule a tool works on.
+ *
+ * Every tool of the family that takes a structure takes it the same way — in
+ * the three notations a notebook keeps, the one that says the most first — so
+ * the kinds, the parsing and the sentence a host reads when it fails are
+ * written once, here.
+ */
+import { sourceMolecule } from "../../structure/core/sourceMolecule.js";
+import { structureError } from "../../structure/core/structureError.js";
+/**
+ * The kinds a structure input accepts, in order of preference: a molfile
+ * carries the layout its author drew, an idcode the exact structure, a SMILES
+ * only the connectivity.
+ */
+export const STRUCTURE_KINDS = [
+    'chem.molfile',
+    'chem.ocl.id',
+    'chem.smiles',
+];
+/**
+ * The function a tool hands `useHostConnection` as `load` when its input is a
+ * structure.
+ *
+ * The structure is parsed before `show` is called, so one that cannot be read
+ * is answered `unreadable` with a sentence the host can show, and nothing on
+ * the tool's screen changes.
+ * @param show - Puts the molecule on screen, under the host's label for it.
+ * @param key - The input the structure arrives on.
+ * @returns The `load` function.
+ */
+export function hostStructureLoader(show, key = 'structure') {
+    return (inputs) => {
+        for (const { key: inputKey, item, checked } of inputs) {
+            if (inputKey !== key || !isStructureValue(checked))
+                continue;
+            show(readHostMolecule(checked), item.label);
+        }
+    };
+}
+/**
+ * Read a structure a host sent.
+ *
+ * A molfile whose atoms all sit on one point — SciPeaks stores some that way —
+ * is laid out again, so a tool that draws it does not draw one dot.
+ * @param checked - The value, already checked against its kind.
+ * @returns A molecule with at least one atom.
+ * @throws {Error} When the notation does not parse or describes no atoms; the
+ * message is the sentence the host is answered with.
+ */
+export function readHostMolecule(checked) {
+    const notation = NOTATIONS[checked.kind];
+    let molecule;
+    try {
+        molecule = sourceMolecule(hostStructureSource(checked));
+    }
+    catch (error) {
+        const { message } = structureError(error);
+        throw new Error(`The ${notation} could not be read, so nothing was loaded: ${message}`, { cause: error });
+    }
+    if (molecule.getAllAtoms() === 0) {
+        throw new Error(`The ${notation} describes no atoms, so nothing was loaded.`);
+    }
+    if (atomsCoincide(molecule))
+        molecule.inventCoordinates();
+    return molecule;
+}
+/**
+ * A structure a host sent, as the notation a depiction is drawn from.
+ * @param checked - The value, already checked against its kind.
+ * @returns The notation and its text; an idcode keeps its coordinates.
+ */
+export function hostStructureSource(checked) {
+    if (checked.kind === 'chem.molfile') {
+        return { kind: 'molfile', value: checked.value.molfile };
+    }
+    if (checked.kind === 'chem.ocl.id') {
+        const { idCode, coordinates } = checked.value;
+        return coordinates === ''
+            ? { kind: 'idcode', value: idCode }
+            : { kind: 'idcode', value: idCode, coordinates };
+    }
+    return { kind: 'smiles', value: checked.value.smiles.trim() };
+}
+const NOTATIONS = {
+    'chem.molfile': 'molfile',
+    'chem.ocl.id': 'idcode',
+    'chem.smiles': 'SMILES',
+};
+function atomsCoincide(molecule) {
+    const atoms = molecule.getAllAtoms();
+    if (atoms < 2)
+        return false;
+    const x = molecule.getAtomX(0);
+    const y = molecule.getAtomY(0);
+    for (let atom = 1; atom < atoms; atom++) {
+        if (molecule.getAtomX(atom) !== x || molecule.getAtomY(atom) !== y) {
+            return false;
+        }
+    }
+    return true;
+}
+function isStructureValue(checked) {
+    return Object.hasOwn(NOTATIONS, checked.kind);
+}
+//# sourceMappingURL=hostStructure.js.map

package/lib/host/core/hostStructure.js.map

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package/lib/host/core/index.d.ts

@@ -0,0 +1,9 @@
+export type { HostConnectionOptions, HostMessageEvent, InputSelection, LoadedInput, } from './connectHost.ts';
+export { connectHost, selectInputs } from './connectHost.ts';
+export type { StructureValue } from './hostStructure.ts';
+export { STRUCTURE_KINDS, hostStructureLoader, hostStructureSource, readHostMolecule, } from './hostStructure.ts';
+export type { CheckOutcome, CheckedValue, KnownKind, MolfileValue, OclIdValue, SmilesValue, } from './kinds.ts';
+export { checkValue, isKnownKind, kindAccepts } from './kinds.ts';
+export type { GetRequest, HelloMessage, HostError, HostErrorCode, HostItem, HostRequest, LoadRequest, ResultMessage, ToolInput, ToolInterface, ToolOutput, UsedItem, } from './protocol.ts';
+export { CONNECT_TYPE, HELLO_TYPE, MAX_ITEMS, MAX_LABEL_LENGTH, PROTOCOL_VERSION, isConnect, parseRequest, } from './protocol.ts';
+//# sourceMappingURL=index.d.ts.map

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

@@ -0,0 +1 @@
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package/lib/host/core/index.js

@@ -0,0 +1,5 @@
+export { connectHost, selectInputs } from "./connectHost.js";
+export { STRUCTURE_KINDS, hostStructureLoader, hostStructureSource, readHostMolecule, } from "./hostStructure.js";
+export { checkValue, isKnownKind, kindAccepts } from "./kinds.js";
+export { CONNECT_TYPE, HELLO_TYPE, MAX_ITEMS, MAX_LABEL_LENGTH, PROTOCOL_VERSION, isConnect, parseRequest, } from "./protocol.js";
+//# sourceMappingURL=index.js.map

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

@@ -0,0 +1 @@
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package/lib/host/core/kinds.d.ts

@@ -0,0 +1,73 @@
+/**
+ * The kinds of data a tool takes from a host, checked the way
+ * pipeline.cheminfo.org checks what its workers pass to each other: a dotted
+ * name, a JSON Schema, and ajv.
+ *
+ * The names are pipeline's (`chem.molfile.2d`, `chem.ocl.id`…), plus
+ * `chem.smiles`, which pipeline lists among its future schemas. A name with
+ * children is a category whose schema every child satisfies, so `chem.molfile`
+ * reads `chem.molfile.2d` and `chem.molfile.3d.h.energy` alike; the fields a
+ * tool does not read are stripped rather than refused, so a host sending more
+ * than it needs to is never turned away.
+ */
+/** A molfile, V2000 or V3000. */
+export interface MolfileValue {
+    molfile: string;
+}
+/** An OpenChemLib idcode and its 2D coordinates. */
+export interface OclIdValue {
+    idCode: string;
+    coordinates: string;
+}
+/** A SMILES. */
+export interface SmilesValue {
+    smiles: string;
+}
+/** A value that passed its kind's schema, tagged with that kind. */
+export type CheckedValue = {
+    kind: 'chem.molfile';
+    value: MolfileValue;
+} | {
+    kind: 'chem.ocl.id';
+    value: OclIdValue;
+} | {
+    kind: 'chem.smiles';
+    value: SmilesValue;
+};
+/** The name of a kind a tool can read. */
+export type KnownKind = CheckedValue['kind'];
+/** What checking a value gave. */
+export type CheckOutcome = {
+    valid: true;
+    checked: CheckedValue;
+} | {
+    valid: false;
+    errors: string[];
+};
+/**
+ * Whether a kind falls under another: the same name, or a name under it on a
+ * segment boundary. A list (`…[]`) never stands for one value, nor one value
+ * for a list.
+ * @param accepted - The kind a tool declares, e.g. `'chem.molfile'`.
+ * @param offered - The kind an item carries, e.g. `'chem.molfile.2d'`.
+ * @returns `true` when an item of `offered` can be read as `accepted`.
+ */
+export declare function kindAccepts(accepted: string, offered: string): boolean;
+/**
+ * Whether there is a schema for a kind.
+ * @param kind - A kind name.
+ * @returns `true` for a {@link KnownKind}.
+ */
+export declare function isKnownKind(kind: string): kind is KnownKind;
+/**
+ * Check a value against a kind's schema.
+ *
+ * Fields the schema does not name are removed from `value` itself, so what the
+ * site reads afterwards is exactly what the kind promises.
+ * @param kind - The kind to read the value as.
+ * @param value - The value, as received.
+ * @returns The value tagged with its kind, or the errors as pipeline writes
+ * them, `'/idCode: must be string'`.
+ */
+export declare function checkValue(kind: KnownKind, value: unknown): CheckOutcome;
+//# sourceMappingURL=kinds.d.ts.map

package/lib/host/core/kinds.d.ts.map

@@ -0,0 +1 @@
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package/lib/host/core/kinds.js

@@ -0,0 +1,88 @@
+/**
+ * The kinds of data a tool takes from a host, checked the way
+ * pipeline.cheminfo.org checks what its workers pass to each other: a dotted
+ * name, a JSON Schema, and ajv.
+ *
+ * The names are pipeline's (`chem.molfile.2d`, `chem.ocl.id`…), plus
+ * `chem.smiles`, which pipeline lists among its future schemas. A name with
+ * children is a category whose schema every child satisfies, so `chem.molfile`
+ * reads `chem.molfile.2d` and `chem.molfile.3d.h.energy` alike; the fields a
+ * tool does not read are stripped rather than refused, so a host sending more
+ * than it needs to is never turned away.
+ */
+import { Ajv } from 'ajv';
+/**
+ * Whether a kind falls under another: the same name, or a name under it on a
+ * segment boundary. A list (`…[]`) never stands for one value, nor one value
+ * for a list.
+ * @param accepted - The kind a tool declares, e.g. `'chem.molfile'`.
+ * @param offered - The kind an item carries, e.g. `'chem.molfile.2d'`.
+ * @returns `true` when an item of `offered` can be read as `accepted`.
+ */
+export function kindAccepts(accepted, offered) {
+    const list = accepted.endsWith('[]');
+    if (offered.endsWith('[]') !== list)
+        return false;
+    const base = list ? accepted.slice(0, -2) : accepted;
+    const name = list ? offered.slice(0, -2) : offered;
+    return name === base || name.startsWith(`${base}.`);
+}
+/**
+ * Whether there is a schema for a kind.
+ * @param kind - A kind name.
+ * @returns `true` for a {@link KnownKind}.
+ */
+export function isKnownKind(kind) {
+    return Object.hasOwn(VALIDATORS, kind);
+}
+/**
+ * Check a value against a kind's schema.
+ *
+ * Fields the schema does not name are removed from `value` itself, so what the
+ * site reads afterwards is exactly what the kind promises.
+ * @param kind - The kind to read the value as.
+ * @param value - The value, as received.
+ * @returns The value tagged with its kind, or the errors as pipeline writes
+ * them, `'/idCode: must be string'`.
+ */
+export function checkValue(kind, value) {
+    const validate = VALIDATORS[kind];
+    if (validate(value)) {
+        // The validator of `kind` just vouched for the shape of `value`.
+        return { valid: true, checked: { kind, value } };
+    }
+    const errors = [];
+    for (const error of validate.errors ?? []) {
+        errors.push(`${error.instancePath || '/'}: ${error.message ?? 'invalid'}`);
+    }
+    return { valid: false, errors };
+}
+const MOLFILE_SCHEMA = {
+    type: 'object',
+    properties: { molfile: { type: 'string' } },
+    required: ['molfile'],
+    additionalProperties: false,
+};
+const OCL_ID_SCHEMA = {
+    type: 'object',
+    properties: {
+        idCode: { type: 'string' },
+        coordinates: { type: 'string' },
+    },
+    required: ['idCode', 'coordinates'],
+    additionalProperties: false,
+};
+const SMILES_SCHEMA = {
+    type: 'object',
+    properties: { smiles: { type: 'string' } },
+    required: ['smiles'],
+    additionalProperties: false,
+};
+// `removeAdditional` strips what `additionalProperties: false` would refuse.
+const ajv = new Ajv({ removeAdditional: true });
+const VALIDATORS = {
+    'chem.molfile': ajv.compile(MOLFILE_SCHEMA),
+    'chem.ocl.id': ajv.compile(OCL_ID_SCHEMA),
+    'chem.smiles': ajv.compile(SMILES_SCHEMA),
+};
+//# sourceMappingURL=kinds.js.map

package/lib/host/core/kinds.js.map

@@ -0,0 +1 @@
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package/lib/host/core/protocol.d.ts

@@ -0,0 +1,134 @@
+/**
+ * The cheminfo host protocol, version 1: what a page that frames a tool — an
+ * electronic lab notebook, a course — and the tool say to each other.
+ *
+ * Two messages travel between the windows — `hello`, from the tool, and
+ * `connect`, the host's answer carrying a private `MessagePort` — and everything
+ * else goes through that port: the host's requests (`load`, `get`) and the
+ * tool's `result` for each. This module only spells the messages, and reads
+ * what arrives as the untrusted input it is.
+ */
+/** The version a tool speaks; a `connect` naming another is ignored. */
+export declare const PROTOCOL_VERSION = 1;
+/** Posted to the parent frame or the opener at start-up: who the tool is. */
+export declare const HELLO_TYPE = "cheminfo:hello";
+/** The host's answer to `hello`, carrying the port the rest goes through. */
+export declare const CONNECT_TYPE = "cheminfo:connect";
+/** How many items one request may carry; the rest are dropped. */
+export declare const MAX_ITEMS = 64;
+/** How long a label may be, in characters; a longer one is cut. */
+export declare const MAX_LABEL_LENGTH = 80;
+/** One typed value crossing the frame boundary. */
+export interface HostItem {
+    /** A kind name, e.g. `'chem.molfile.2d'`. */
+    kind: string;
+    /** Checked against the kind before anything reads it. */
+    value: unknown;
+    /**
+     * The host's name for it, opaque here, e.g. an attachment.
+     * @default undefined
+     */
+    id?: string;
+    /**
+     * The tool input it is meant for.
+     * @default undefined — any input that accepts its kind
+     */
+    key?: string;
+    /**
+     * What a notice calls it, e.g. `'Ethylbenzene'`.
+     * @default undefined
+     */
+    label?: string;
+}
+/** One value the tool takes. */
+export interface ToolInput {
+    key: string;
+    /** Kinds in order of preference; a category accepts every kind under it. */
+    kinds: readonly string[];
+}
+/** One value the tool can hand back. */
+export interface ToolOutput {
+    key: string;
+    kind: string;
+}
+/** What the tool is and takes, as `hello` announces it. */
+export interface ToolInterface {
+    name: string;
+    inputs: readonly ToolInput[];
+    outputs: readonly ToolOutput[];
+}
+/** What `hello` carries: public, readable by any origin. */
+export interface HelloMessage {
+    type: typeof HELLO_TYPE;
+    version: typeof PROTOCOL_VERSION;
+    tool: ToolInterface & {
+        /** The tool's origin, e.g. `'https://3d.cheminfo.org'`. */
+        origin: string;
+        /** The build that is running, as the About states it, or `null`. */
+        build: unknown;
+    };
+}
+/** `load`: the host's data, for one document. */
+export interface LoadRequest {
+    type: 'load';
+    id: string;
+    /** What the data belongs to; the same document twice is applied once. */
+    document: string;
+    items: HostItem[];
+}
+/** `get`: the current value of some outputs. */
+export interface GetRequest {
+    type: 'get';
+    id: string;
+    keys: string[];
+}
+/** A request the host sends through the port. */
+export type HostRequest = LoadRequest | GetRequest;
+/** Why a request could not be served. */
+export type HostErrorCode = 'invalid' | 'unreadable' | 'no-input' | 'no-output';
+/** What a failed request is answered with. */
+export interface HostError {
+    code: HostErrorCode;
+    /** One sentence, in English. */
+    message: string;
+    /**
+     * What the schema found, as `'chem.ocl.id /idCode: must be string'`.
+     * @default undefined
+     */
+    errors?: string[];
+}
+/** Which item an input took. */
+export interface UsedItem {
+    key: string;
+    kind: string;
+}
+/** The answer to one request, carrying its `id`. */
+export type ResultMessage = {
+    type: 'result';
+    id: string;
+    ok: true;
+    used: UsedItem[];
+} | {
+    type: 'result';
+    id: string;
+    ok: false;
+    error: HostError;
+};
+/**
+ * Read a message that arrived through the port.
+ *
+ * Anything that is not a well-formed `load` or `get` is `null`, and goes
+ * unanswered: an unknown request is a newer host talking, not an error. An item
+ * without a string `kind` is dropped, and a label is cut to
+ * {@link MAX_LABEL_LENGTH}.
+ * @param data - What the port delivered.
+ * @returns The request, or `null`.
+ */
+export declare function parseRequest(data: unknown): HostRequest | null;
+/**
+ * Whether a window message is the host's answer to `hello`, in this version.
+ * @param data - What the window delivered.
+ * @returns `true` for a `connect` of {@link PROTOCOL_VERSION}.
+ */
+export declare function isConnect(data: unknown): boolean;
+//# sourceMappingURL=protocol.d.ts.map

package/lib/host/core/protocol.d.ts.map

@@ -0,0 +1 @@
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package/lib/host/core/protocol.js

@@ -0,0 +1,92 @@
+/**
+ * The cheminfo host protocol, version 1: what a page that frames a tool — an
+ * electronic lab notebook, a course — and the tool say to each other.
+ *
+ * Two messages travel between the windows — `hello`, from the tool, and
+ * `connect`, the host's answer carrying a private `MessagePort` — and everything
+ * else goes through that port: the host's requests (`load`, `get`) and the
+ * tool's `result` for each. This module only spells the messages, and reads
+ * what arrives as the untrusted input it is.
+ */
+/** The version a tool speaks; a `connect` naming another is ignored. */
+export const PROTOCOL_VERSION = 1;
+/** Posted to the parent frame or the opener at start-up: who the tool is. */
+export const HELLO_TYPE = 'cheminfo:hello';
+/** The host's answer to `hello`, carrying the port the rest goes through. */
+export const CONNECT_TYPE = 'cheminfo:connect';
+/** How many items one request may carry; the rest are dropped. */
+export const MAX_ITEMS = 64;
+/** How long a label may be, in characters; a longer one is cut. */
+export const MAX_LABEL_LENGTH = 80;
+/**
+ * Read a message that arrived through the port.
+ *
+ * Anything that is not a well-formed `load` or `get` is `null`, and goes
+ * unanswered: an unknown request is a newer host talking, not an error. An item
+ * without a string `kind` is dropped, and a label is cut to
+ * {@link MAX_LABEL_LENGTH}.
+ * @param data - What the port delivered.
+ * @returns The request, or `null`.
+ */
+export function parseRequest(data) {
+    if (!isRecord(data) || typeof data.id !== 'string')
+        return null;
+    if (data.type === 'load') {
+        if (typeof data.document !== 'string' || !Array.isArray(data.items)) {
+            return null;
+        }
+        return {
+            type: 'load',
+            id: data.id,
+            document: data.document,
+            items: readItems(data.items),
+        };
+    }
+    if (data.type === 'get') {
+        return { type: 'get', id: data.id, keys: readStrings(data.keys) };
+    }
+    return null;
+}
+/**
+ * Whether a window message is the host's answer to `hello`, in this version.
+ * @param data - What the window delivered.
+ * @returns `true` for a `connect` of {@link PROTOCOL_VERSION}.
+ */
+export function isConnect(data) {
+    return (isRecord(data) &&
+        data.type === CONNECT_TYPE &&
+        data.version === PROTOCOL_VERSION);
+}
+function readItems(values) {
+    const items = [];
+    const count = Math.min(values.length, MAX_ITEMS);
+    for (let index = 0; index < count; index++) {
+        const value = values[index];
+        if (!isRecord(value) || typeof value.kind !== 'string')
+            continue;
+        const item = { kind: value.kind, value: value.value };
+        if (typeof value.id === 'string')
+            item.id = value.id;
+        if (typeof value.key === 'string')
+            item.key = value.key;
+        if (typeof value.label === 'string') {
+            item.label = value.label.slice(0, MAX_LABEL_LENGTH);
+        }
+        items.push(item);
+    }
+    return items;
+}
+function readStrings(value) {
+    if (!Array.isArray(value))
+        return [];
+    const strings = [];
+    for (const entry of value) {
+        if (typeof entry === 'string')
+            strings.push(entry);
+    }
+    return strings;
+}
+function isRecord(value) {
+    return typeof value === 'object' && value !== null && !Array.isArray(value);
+}
+//# sourceMappingURL=protocol.js.map

package/lib/host/core/protocol.js.map

@@ -0,0 +1 @@
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package/lib/host/testing/sciPeaks.d.ts

@@ -0,0 +1,21 @@
+/**
+ * What SciPeaks sends a tool, byte for byte: the `load` its tool tab —
+ * visualizer-helper's `eln/toolTab` — writes for the ethylbenzene sample its own
+ * tests read (`eln/__tests__/data/sample.json`). Both repositories pin this
+ * message, so a change on either side that the other does not expect fails a
+ * test rather than a notebook.
+ *
+ * The sample is a real one, and so are its quirks: its molfile is V2000 with
+ * every atom at the origin, its title is blank so the label is its first name,
+ * and its formula travels as a kind no structure input reads.
+ */
+import type { LoadRequest } from '../core/protocol.ts';
+/** How SciPeaks' tool tab introduces itself in `connect`. */
+export declare const SCIPEAKS_HOST_NAME = "SciPeaks";
+/** The molfile SciPeaks stores for ethylbenzene: every atom at the origin. */
+export declare const SCIPEAKS_ETHYLBENZENE_MOLFILE: string;
+/** The first `load` the tool tab sends for that sample, with `accept`. */
+export declare const SCIPEAKS_ETHYLBENZENE_LOAD: LoadRequest & {
+    accept: string[];
+};
+//# sourceMappingURL=sciPeaks.d.ts.map

package/lib/host/testing/sciPeaks.d.ts.map

@@ -0,0 +1 @@
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package/lib/host/testing/sciPeaks.js

@@ -0,0 +1,62 @@
+/**
+ * What SciPeaks sends a tool, byte for byte: the `load` its tool tab —
+ * visualizer-helper's `eln/toolTab` — writes for the ethylbenzene sample its own
+ * tests read (`eln/__tests__/data/sample.json`). Both repositories pin this
+ * message, so a change on either side that the other does not expect fails a
+ * test rather than a notebook.
+ *
+ * The sample is a real one, and so are its quirks: its molfile is V2000 with
+ * every atom at the origin, its title is blank so the label is its first name,
+ * and its formula travels as a kind no structure input reads.
+ */
+/** How SciPeaks' tool tab introduces itself in `connect`. */
+export const SCIPEAKS_HOST_NAME = 'SciPeaks';
+/** The molfile SciPeaks stores for ethylbenzene: every atom at the origin. */
+export const SCIPEAKS_ETHYLBENZENE_MOLFILE = [
+    '',
+    'Actelion Java MolfileCreator 1.0',
+    '',
+    '  8  8  0  0  0  0  0  0  0  0999 V2000',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0',
+    '  1  2  1  0  0  0  0',
+    '  1  3  1  0  0  0  0',
+    '  2  4  2  0  0  0  0',
+    '  2  5  1  0  0  0  0',
+    '  4  6  1  0  0  0  0',
+    '  5  7  2  0  0  0  0',
+    '  6  8  2  0  0  0  0',
+    '  7  8  1  0  0  0  0',
+    'M  END',
+    '',
+].join('\n');
+/** The first `load` the tool tab sends for that sample, with `accept`. */
+export const SCIPEAKS_ETHYLBENZENE_LOAD = {
+    type: 'load',
+    id: 'load-1',
+    document: 'eln:1315a6d895f431497538cb6d834feab5',
+    items: [
+        {
+            kind: 'chem.molfile.2d',
+            value: { molfile: SCIPEAKS_ETHYLBENZENE_MOLFILE },
+            label: 'Ethylbenzene',
+        },
+        {
+            kind: 'chem.ocl.id',
+            value: {
+                idCode: 'daD@@DjUZxHH@@',
+                coordinates: String.raw `!BbOvw?_x@?g?~_{\Bm?t`,
+            },
+            label: 'Ethylbenzene',
+        },
+        { kind: 'chem.mf', value: { mf: 'C8H10' } },
+    ],
+    accept: [],
+};
+//# sourceMappingURL=sciPeaks.js.map

package/lib/host/testing/sciPeaks.js.map

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