@datagrok-libraries/bio 5.61.0 → 5.61.2
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 +8 -0
- package/package.json +1 -1
- package/src/monomer-works/lib-settings.d.ts +0 -2
- package/src/monomer-works/lib-settings.d.ts.map +1 -1
- package/src/monomer-works/lib-settings.js +57 -4
- package/src/monomer-works/lib-settings.js.map +1 -1
- package/src/types/monomer-library.d.ts +5 -0
- package/src/types/monomer-library.d.ts.map +1 -1
- package/src/types/monomer-library.js.map +1 -1
package/CHANGELOG.md
CHANGED
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@@ -1,5 +1,13 @@
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# bio changelog
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## 5.61.2 (2025-11-03)
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* Split User settings for duplicate monomer preferences into separate entries to avoid length limits.
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## 5.61.1 (2025-10-30)
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* Rework User lib settings storage to accomodate shortened duplicate preferences
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## 5.61.0 (2025-10-29)
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* CHEMS and SMILES support in HELM
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package/package.json
CHANGED
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"access": "public"
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},
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"friendlyName": "Datagrok bio library",
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"version": "5.61.
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"version": "5.61.2",
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"description": "Bio utilities, types supporting Macromolecule, Molecule3D data",
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"dependencies": {
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"@datagrok-libraries/chem-meta": "^1.2.7",
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@@ -1,6 +1,4 @@
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import { UserLibSettings } from './types';
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export declare const LIB_STORAGE_NAME = "Libraries";
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export declare const SETS_STORAGE_NAME: string;
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export declare function getUserLibSettings(): Promise<UserLibSettings>;
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export declare function setUserLibSettings(value: UserLibSettings): Promise<void>;
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//# sourceMappingURL=lib-settings.d.ts.map
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@@ -1 +1 @@
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{"version":3,"file":"lib-settings.d.ts","sourceRoot":"","sources":["lib-settings.ts"],"names":[],"mappings":"
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{"version":3,"file":"lib-settings.d.ts","sourceRoot":"","sources":["lib-settings.ts"],"names":[],"mappings":"AAEA,OAAO,EAAC,eAAe,EAAC,MAAM,SAAS,CAAC;AA+CxC,wBAAsB,kBAAkB,IAAI,OAAO,CAAC,eAAe,CAAC,CAwBnE;AAED,wBAAsB,kBAAkB,CAAC,KAAK,EAAE,eAAe,GAAG,OAAO,CAAC,IAAI,CAAC,CAoB9E"}
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@@ -1,18 +1,57 @@
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/* eslint-disable max-len */
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import * as grok from 'datagrok-api/grok';
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// -- Monomer libraries --
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const LIB_STORAGE_NAME = 'Libraries';
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const LIB_SETTINGS_KEY = 'Settings';
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const DUPLICATE_MONOMER_PREFERENCES_KEY = 'DuplicateMonomerPreferences';
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// user settings does not allow more than 5000 characters, but unfortunately we need this, so we will split
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// the string into chunks and store them separately
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const MAX_USER_SETTINGS_STRING_LENGTH = 4000;
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const CHUNK_KEY_SUFFIX = 'nextChunk';
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async function getDuplicatePrefsFull() {
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// the first part of it will always live in DUPLICATE_MONOMER_PREFERENCES_KEY
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let resStr = await grok.userSettings.getValue(LIB_STORAGE_NAME, DUPLICATE_MONOMER_PREFERENCES_KEY, true) ?? '';
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if (!resStr)
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return {};
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// chunk will end with special suffix and just before it will have the number of the next chunk key
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while (resStr.endsWith(CHUNK_KEY_SUFFIX)) {
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const nextChunkKey = `${DUPLICATE_MONOMER_PREFERENCES_KEY}${resStr.charAt(resStr.length - CHUNK_KEY_SUFFIX.length - 1)}`;
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const nextChunkStr = (await grok.userSettings.getValue(LIB_STORAGE_NAME, nextChunkKey, true)) ?? '';
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resStr = resStr.slice(0, resStr.length - CHUNK_KEY_SUFFIX.length - 1) + nextChunkStr;
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}
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return JSON.parse(resStr);
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}
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async function setDuplicatePrefsFull(value) {
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const valueStr = JSON.stringify(value);
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const chunksCount = Math.ceil(valueStr.length / MAX_USER_SETTINGS_STRING_LENGTH);
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for (let i = 0; i < chunksCount; i++) {
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const key = i === 0 ? DUPLICATE_MONOMER_PREFERENCES_KEY : `${DUPLICATE_MONOMER_PREFERENCES_KEY}${i}`;
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const nextKey = i < chunksCount - 1 ? `${i + 1}` : '';
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const chunkStr = valueStr.slice(i * MAX_USER_SETTINGS_STRING_LENGTH, (i + 1) * MAX_USER_SETTINGS_STRING_LENGTH);
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const chunkStrToStore = nextKey ? chunkStr + nextKey + CHUNK_KEY_SUFFIX : chunkStr;
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await grok.userSettings.add(LIB_STORAGE_NAME, key, chunkStrToStore, true);
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}
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}
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let userLibSettingsPromise = Promise.resolve();
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export async function getUserLibSettings() {
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let res;
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userLibSettingsPromise = userLibSettingsPromise.then(async () => {
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const resStr = grok.userSettings.getValue(LIB_STORAGE_NAME,
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const resStr = await grok.userSettings.getValue(LIB_STORAGE_NAME, LIB_SETTINGS_KEY, true);
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res = resStr ? JSON.parse(resStr) : { exclude: [], explicit: [], duplicateMonomerPreferences: {} };
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const duplicatePrefs = await getDuplicatePrefsFull();
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// Fix empty object returned in case there is no settings stored for user
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res.exclude = res.exclude instanceof Array ? res.exclude : [];
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res.explicit = res.explicit instanceof Array ? res.explicit : [];
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res.duplicateMonomerPreferences = res.duplicateMonomerPreferences instanceof Object ?
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res.duplicateMonomerPreferences : {};
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// migrate from short hand if needed
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for (const polymerType in duplicatePrefs) {
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res.duplicateMonomerPreferences[polymerType] = res.duplicateMonomerPreferences[polymerType] ?? {};
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for (const libraryName in duplicatePrefs[polymerType]) {
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for (const monomerSymbol of duplicatePrefs[polymerType][libraryName])
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res.duplicateMonomerPreferences[polymerType][monomerSymbol] = libraryName;
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}
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}
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console.debug(`Bio: getUserLibSettings()\n${JSON.stringify(res, undefined, 2)}`);
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});
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await userLibSettingsPromise;
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}
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export async function setUserLibSettings(value) {
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userLibSettingsPromise = userLibSettingsPromise.then(async () => {
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value.duplicateMonomerPreferences = value.duplicateMonomerPreferences ?? {};
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console.debug(`Bio: setUserLibSettings()\n${JSON.stringify(value, undefined, 2)}`);
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// extract short hand for duplicateMonomerPreferences
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const duplicatePrefsShortHand = {};
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for (const polymerType in value.duplicateMonomerPreferences) {
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duplicatePrefsShortHand[polymerType] = {};
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for (const monomerSymbol in value.duplicateMonomerPreferences[polymerType]) {
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const libraryName = value.duplicateMonomerPreferences[polymerType][monomerSymbol];
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duplicatePrefsShortHand[polymerType][libraryName] = duplicatePrefsShortHand[polymerType][libraryName] ?? [];
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duplicatePrefsShortHand[polymerType][libraryName].push(monomerSymbol);
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}
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}
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await setDuplicatePrefsFull(duplicatePrefsShortHand);
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//await grok.userSettings.add(LIB_STORAGE_NAME, DUPLICATE_MONOMER_PREFERENCES_KEY, JSON.stringify(duplicatePrefsShortHand), true);
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value.duplicateMonomerPreferences = {}; // clear to reduce size
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await grok.userSettings.add(LIB_STORAGE_NAME, LIB_SETTINGS_KEY, JSON.stringify(value), true);
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});
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await userLibSettingsPromise;
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}
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{"version":3,"file":"lib-settings.js","sourceRoot":"","sources":["lib-settings.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,IAAI,MAAM,mBAAmB,CAAC;AAG1C,0BAA0B;AAC1B,MAAM,CAAC,MAAM,gBAAgB,GAAG,WAAW,CAAC;
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{"version":3,"file":"lib-settings.js","sourceRoot":"","sources":["lib-settings.ts"],"names":[],"mappings":"AAAA,4BAA4B;AAC5B,OAAO,KAAK,IAAI,MAAM,mBAAmB,CAAC;AAG1C,0BAA0B;AAC1B,MAAM,gBAAgB,GAAG,WAAW,CAAC;AACrC,MAAM,gBAAgB,GAAG,UAAU,CAAC;AACpC,MAAM,iCAAiC,GAAG,6BAA6B,CAAC;AAUxE,2GAA2G;AAC3G,mDAAmD;AACnD,MAAM,+BAA+B,GAAG,IAAI,CAAC;AAC7C,MAAM,gBAAgB,GAAG,WAAW,CAAC;AACrC,KAAK,UAAU,qBAAqB;IACpC,6EAA6E;IAC3E,IAAI,MAAM,GAAW,MAAM,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,gBAAgB,EAAE,iCAAiC,EAAE,IAAI,CAAC,IAAI,EAAE,CAAC;IACvH,IAAI,CAAC,MAAM;QACT,OAAO,EAAE,CAAC;IACZ,mGAAmG;IACnG,OAAO,MAAM,CAAC,QAAQ,CAAC,gBAAgB,CAAC,EAAE,CAAC;QACzC,MAAM,YAAY,GAAG,GAAG,iCAAiC,GAAG,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,MAAM,GAAG,gBAAgB,CAAC,MAAM,GAAG,CAAC,CAAC,EAAE,CAAC;QACzH,MAAM,YAAY,GAAuB,CAAC,MAAM,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,gBAAgB,EAAE,YAAY,EAAE,IAAI,CAAC,CAAC,IAAI,EAAE,CAAC;QACxH,MAAM,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,CAAC,MAAM,GAAG,gBAAgB,CAAC,MAAM,GAAG,CAAC,CAAC,GAAG,YAAY,CAAC;IACvF,CAAC;IACD,OAAO,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;AAC5B,CAAC;AAED,KAAK,UAAU,qBAAqB,CAAC,KAA2C;IAC9E,MAAM,QAAQ,GAAW,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC;IAC/C,MAAM,WAAW,GAAG,IAAI,CAAC,IAAI,CAAC,QAAQ,CAAC,MAAM,GAAG,+BAA+B,CAAC,CAAC;IACjF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,WAAW,EAAE,CAAC,EAAE,EAAE,CAAC;QACrC,MAAM,GAAG,GAAG,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,iCAAiC,CAAC,CAAC,CAAC,GAAG,iCAAiC,GAAG,CAAC,EAAE,CAAC;QACrG,MAAM,OAAO,GAAG,CAAC,GAAG,WAAW,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC;QACtD,MAAM,QAAQ,GAAG,QAAQ,CAAC,KAAK,CAAC,CAAC,GAAG,+BAA+B,EAAE,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,+BAA+B,CAAC,CAAC;QAChH,MAAM,eAAe,GAAG,OAAO,CAAC,CAAC,CAAC,QAAQ,GAAG,OAAO,GAAG,gBAAgB,CAAC,CAAC,CAAC,QAAQ,CAAC;QACnF,MAAM,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,gBAAgB,EAAE,GAAG,EAAE,eAAe,EAAE,IAAI,CAAC,CAAC;IAC5E,CAAC;AACH,CAAC;AAED,IAAI,sBAAsB,GAAkB,OAAO,CAAC,OAAO,EAAE,CAAC;AAE9D,MAAM,CAAC,KAAK,UAAU,kBAAkB;IACtC,IAAI,GAAoB,CAAC;IACzB,sBAAsB,GAAG,sBAAsB,CAAC,IAAI,CAAC,KAAK,IAAI,EAAE;QAC9D,MAAM,MAAM,GAAuB,MAAM,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,gBAAgB,EAAE,gBAAgB,EAAE,IAAI,CAAC,CAAC;QAC9G,GAAG,GAAG,MAAM,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,EAAC,OAAO,EAAE,EAAE,EAAE,QAAQ,EAAE,EAAE,EAAE,2BAA2B,EAAE,EAAE,EAAC,CAAC;QACjG,MAAM,cAAc,GAAyC,MAAM,qBAAqB,EAAE,CAAC;QAC3F,yEAAyE;QACzE,GAAG,CAAC,OAAO,GAAG,GAAG,CAAC,OAAO,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,CAAC;QAC9D,GAAG,CAAC,QAAQ,GAAG,GAAG,CAAC,QAAQ,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC;QACjE,GAAG,CAAC,2BAA2B,GAAG,GAAG,CAAC,2BAA2B,YAAY,MAAM,CAAC,CAAC;YACnF,GAAG,CAAC,2BAA2B,CAAC,CAAC,CAAC,EAAE,CAAC;QAEvC,oCAAoC;QACpC,KAAK,MAAM,WAAW,IAAI,cAAc,EAAE,CAAC;YACzC,GAAG,CAAC,2BAA2B,CAAC,WAAW,CAAC,GAAG,GAAG,CAAC,2BAA2B,CAAC,WAAW,CAAC,IAAI,EAAE,CAAC;YAClG,KAAK,MAAM,WAAW,IAAI,cAAc,CAAC,WAAW,CAAC,EAAE,CAAC;gBACtD,KAAK,MAAM,aAAa,IAAI,cAAc,CAAC,WAAW,CAAC,CAAC,WAAW,CAAC;oBAClE,GAAG,CAAC,2BAA2B,CAAC,WAAW,CAAC,CAAC,aAAa,CAAC,GAAG,WAAW,CAAC;YAC9E,CAAC;QACH,CAAC;QACD,OAAO,CAAC,KAAK,CAAC,8BAA8B,IAAI,CAAC,SAAS,CAAC,GAAG,EAAE,SAAS,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC;IACnF,CAAC,CAAC,CAAC;IACH,MAAM,sBAAsB,CAAC;IAC7B,OAAO,GAAI,CAAC;AACd,CAAC;AAED,MAAM,CAAC,KAAK,UAAU,kBAAkB,CAAC,KAAsB;IAC7D,sBAAsB,GAAG,sBAAsB,CAAC,IAAI,CAAC,KAAK,IAAI,EAAE;QAC9D,KAAK,CAAC,2BAA2B,GAAG,KAAK,CAAC,2BAA2B,IAAI,EAAE,CAAC;QAC5E,OAAO,CAAC,KAAK,CAAC,8BAA8B,IAAI,CAAC,SAAS,CAAC,KAAK,EAAE,SAAS,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC;QACnF,qDAAqD;QACrD,MAAM,uBAAuB,GAAyC,EAAE,CAAC;QACzE,KAAK,MAAM,WAAW,IAAI,KAAK,CAAC,2BAA2B,EAAE,CAAC;YAC5D,uBAAuB,CAAC,WAAW,CAAC,GAAG,EAAE,CAAC;YAC1C,KAAK,MAAM,aAAa,IAAI,KAAK,CAAC,2BAA2B,CAAC,WAAW,CAAC,EAAE,CAAC;gBAC3E,MAAM,WAAW,GAAG,KAAK,CAAC,2BAA2B,CAAC,WAAW,CAAC,CAAC,aAAa,CAAC,CAAC;gBAClF,uBAAuB,CAAC,WAAW,CAAC,CAAC,WAAW,CAAC,GAAG,uBAAuB,CAAC,WAAW,CAAC,CAAC,WAAW,CAAC,IAAI,EAAE,CAAC;gBAC5G,uBAAuB,CAAC,WAAW,CAAC,CAAC,WAAW,CAAC,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;YACxE,CAAC;QACH,CAAC;QACD,MAAM,qBAAqB,CAAC,uBAAuB,CAAC,CAAC;QACrD,kIAAkI;QAClI,KAAK,CAAC,2BAA2B,GAAG,EAAE,CAAC,CAAC,uBAAuB;QAC/D,MAAM,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,gBAAgB,EAAE,gBAAgB,EAAE,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,EAAE,IAAI,CAAC,CAAC;IAC/F,CAAC,CAAC,CAAC;IACH,MAAM,sBAAsB,CAAC;AAC/B,CAAC"}
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};
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export interface IMonomerLib extends IMonomerLibBase {
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get error(): string | undefined;
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get duplicateMonomers(): {
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[polymerType: string]: {
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[monomerSymbol: string]: Monomer[];
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};
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};
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getMonomerMolsByPolymerType(polymerType: PolymerType): {
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[monomerSymbol: string]: string;
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} | null;
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-
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