nmr-processing 9.0.4-pre.1661356357 → 9.1.0-pre.1663616845

package/lib/prediction/predictCOSY.js.map

@@ -1 +1 @@
-{"version":3,"file":"predictCOSY.js","sourceRoot":"","sources":["../../src/prediction/predictCOSY.ts"],"names":[],"mappings":";;;AAEA,mDAAsE;AAEtE,iDAAyD;AA4CzD;;;GAGG;AAEI,KAAK,UAAU,WAAW,CAC/B,QAAkB,EAClB,UAA8B,EAAE;IAEhC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,CAAC,EACb,WAAW,EACX,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,EAChC,cAAc,EACd,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,EAClC,eAAe,GAAG,IAAI,GACvB,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,qBAAS,EAAC,QAAQ,EAAE;QACzB,IAAI,EAAE,GAAG;QACT,EAAE,EAAE,GAAG;QACP,SAAS;QACT,SAAS;QACT,SAAS;QACT,YAAY;QACZ,WAAW;QACX,eAAe;QACf,cAAc;KACf,CAAC,CAAC;AACL,CAAC;AAzBD,kCAyBC"}
+{"version":3,"file":"predictCOSY.js","sourceRoot":"","sources":["../../src/prediction/predictCOSY.ts"],"names":[],"mappings":";;;AAGA,mDAAsE;AACtE,iDAAyD;AA4CzD;;;GAGG;AAEI,KAAK,UAAU,WAAW,CAC/B,QAAkB,EAClB,UAA8B,EAAE;IAEhC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,CAAC,EACb,WAAW,EACX,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,EAChC,cAAc,EACd,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,EAClC,eAAe,GAAG,IAAI,GACvB,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,qBAAS,EAAC,QAAQ,EAAE;QACzB,IAAI,EAAE,GAAG;QACT,EAAE,EAAE,GAAG;QACP,SAAS;QACT,SAAS;QACT,SAAS;QACT,YAAY;QACZ,WAAW;QACX,eAAe;QACf,cAAc;KACf,CAAC,CAAC;AACL,CAAC;AAzBD,kCAyBC"}

package/lib/prediction/predictCarbon.d.ts

@@ -1,6 +1,6 @@
 import type { Molecule } from 'openchemlib';
+import type { Prediction1D } from './Prediction1D';
 import type { DataBaseStructure } from './dataStructure';
-import type { Prediction1D } from './prediction1D';
 export interface PredictCarbonOptions {
     /**
      * URL pointing to a database in json format

package/lib/prediction/predictCarbon.js

@@ -4,7 +4,9 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
 };
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.predictCarbon = void 0;
+const uuid_1 = require("@lukeed/uuid");
 const cross_fetch_1 = __importDefault(require("cross-fetch"));
+const setIDs_1 = require("../peaks/util/setIDs");
 const signalsToRanges_1 = require("../signals/signalsToRanges");
 const fetchPrediction_1 = require("./utils/fetchPrediction");
 const flatGroupedDiaIDs_1 = require("./utils/flatGroupedDiaIDs");
@@ -70,6 +72,7 @@ function formatSignals(predictions) {
     for (const prediction of predictions) {
         const { atoms, nbAtoms, delta, diaIDs, statistic } = prediction;
         const signal = {
+            id: (0, uuid_1.v4)(),
             delta: delta || NaN,
             atoms,
             diaIDs,
@@ -95,6 +98,6 @@ function joinSignalByDiaID(signals) {
             joinedSignals[diaID].atoms.push(...signal.atoms);
         }
     }
-    return Object.values(joinedSignals);
+    return (0, setIDs_1.setIDs)(Object.values(joinedSignals));
 }
 //# sourceMappingURL=predictCarbon.js.map

package/lib/prediction/predictCarbon.js.map

@@ -1 +1 @@
-{"version":3,"file":"predictCarbon.js","sourceRoot":"","sources":["../../src/prediction/predictCarbon.ts"],"names":[],"mappings":";;;;;;AAAA,8DAAgC;AAIhC,gEAA6D;AAK7D,6DAA0D;AAC1D,iEAA8D;AAC9D,mEAAgE;AAChE,qDAA8D;AAE9D,MAAM,KAAK,GAAyC,EAAE,CAAC;AAEvD,KAAK,UAAU,MAAM,CACnB,GAAG,GAAG,oEAAoE;IAE1E,IAAI,KAAK,CAAC,GAAG,CAAC,EAAE;QACd,OAAO,KAAK,CAAC,GAAG,CAAC,CAAC;KACnB;IACD,MAAM,QAAQ,GAAG,MAAM,IAAA,qBAAK,EAAC,GAAG,CAAC,CAAC;IAClC,MAAM,QAAQ,GAAsB,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC;IAC1D,KAAK,CAAC,GAAG,CAAC,GAAG,QAAQ,CAAC;IACtB,OAAO,QAAQ,CAAC;AAClB,CAAC;AA8BD,SAAS,mBAAmB,CAC1B,MAAmB;IAEnB,IAAI,CAAC,MAAM,CAAC,KAAK;QAAE,MAAM,IAAI,KAAK,CAAC,oBAAoB,CAAC,CAAC;IACzD,IAAI,CAAC,MAAM,CAAC,MAAM;QAAE,MAAM,IAAI,KAAK,CAAC,qBAAqB,CAAC,CAAC;IAC3D,IAAI,CAAC,MAAM,CAAC,OAAO;QAAE,MAAM,IAAI,KAAK,CAAC,sBAAsB,CAAC,CAAC;AAC/D,CAAC;AACD;;;GAGG;AAEI,KAAK,UAAU,aAAa,CACjC,QAAkB,EAClB,UAAgC,EAAE;IAElC,IAAI,EAAE,GAAG,EAAE,QAAQ,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAE/C,IAAI,aAAa,EAAE;QACjB,OAAO,IAAA,iCAAe,EAAC,QAAQ,EAAE,EAAE,aAAa,EAAE,CAAC,CAAC;KACrD;IAED,IAAI,CAAC,QAAQ;QAAE,QAAQ,GAAG,MAAM,MAAM,CAAC,GAAG,CAAC,CAAC;IAE5C,IAAI,CAAC,QAAQ,EAAE;QACb,MAAM,IAAI,KAAK,CAAC,yBAAyB,CAAC,CAAC;KAC5C;IAED,MAAM,QAAQ,GAAG,QAAQ,CAAC,MAAM,GAAG,CAAC,CAAC;IAErC,IAAI,EAAE,aAAa,GAAG,QAAQ,EAAE,GAAG,OAAO,CAAC;IAE3C,IAAI,aAAa,GAAG,QAAQ;QAAE,aAAa,GAAG,QAAQ,CAAC;IAEvD,MAAM,EAAE,aAAa,EAAE,YAAY,EAAE,OAAO,EAAE,GAAG,IAAA,uCAAkB,EACjE,QAAQ,EACR;QACE,aAAa;KACd,CACF,CAAC;IAEF,IAAI,WAAW,GAAG,IAAA,yBAAW,EAAC,YAAY,EAAE,QAAQ,EAAE;QACpD,aAAa;KACd,CAAC,CAAC;IAEH,MAAM,OAAO,GAAG,aAAa,CAAC,WAAW,CAAC,CAAC;IAC3C,MAAM,aAAa,GAAG,iBAAiB,CAAC,OAAO,CAAC,CAAC;IACjD,OAAO;QACL,OAAO;QACP,OAAO,EAAE,KAAK;QACd,MAAM,EAAE,IAAA,qCAAiB,EAAC,aAAa,CAAC;QACxC,aAAa;QACb,OAAO;QACP,MAAM,EAAE,IAAA,iCAAe,EAAC,aAAa,CAAC;QACtC,QAAQ;KACT,CAAC;AACJ,CAAC;AA5CD,sCA4CC;AAED,SAAS,aAAa,CAAC,WAAyB;IAC9C,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,KAAK,MAAM,UAAU,IAAI,WAAW,EAAE;QACpC,MAAM,EAAE,KAAK,EAAE,OAAO,EAAE,KAAK,EAAE,MAAM,EAAE,SAAS,EAAE,GAAG,UAAU,CAAC;QAChE,MAAM,MAAM,GAAG;YACb,KAAK,EAAE,KAAK,IAAI,GAAG;YACnB,KAAK;YACL,MAAM;YACN,YAAY,EAAE,GAAG;YACjB,OAAO;YACP,SAAS;YACT,EAAE,EAAE,EAAE;SACP,CAAC;QACF,OAAO,CAAC,IAAI,CAAC,MAAqB,CAAC,CAAC;KACrC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED,SAAS,iBAAiB,CAAC,OAAsB;IAC/C,IAAI,aAAa,GAA8C,EAAE,CAAC;IAClE,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,mBAAmB,CAAC,MAAM,CAAC,CAAC;QAC5B,IAAI,KAAK,GAAG,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAI,CAAC,aAAa,CAAC,KAAK,CAAC,EAAE;YACzB,aAAa,CAAC,KAAK,CAAC,GAAG,IAAI,CAAC,KAAK,CAC/B,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CACG,CAAC;SAC7B;aAAM;YACL,aAAa,CAAC,KAAK,CAAC,CAAC,OAAO,IAAI,MAAM,CAAC,OAAO,CAAC;YAC/C,aAAa,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC;SAClD;KACF;IACD,OAAO,MAAM,CAAC,MAAM,CAAC,aAAa,CAAC,CAAC;AACtC,CAAC"}
+{"version":3,"file":"predictCarbon.js","sourceRoot":"","sources":["../../src/prediction/predictCarbon.ts"],"names":[],"mappings":";;;;;;AAAA,uCAAgD;AAChD,8DAAgC;AAGhC,iDAA8C;AAE9C,gEAA6D;AAK7D,6DAA0D;AAC1D,iEAA8D;AAC9D,mEAAgE;AAChE,qDAA8D;AAE9D,MAAM,KAAK,GAAyC,EAAE,CAAC;AAEvD,KAAK,UAAU,MAAM,CACnB,GAAG,GAAG,oEAAoE;IAE1E,IAAI,KAAK,CAAC,GAAG,CAAC,EAAE;QACd,OAAO,KAAK,CAAC,GAAG,CAAC,CAAC;KACnB;IACD,MAAM,QAAQ,GAAG,MAAM,IAAA,qBAAK,EAAC,GAAG,CAAC,CAAC;IAClC,MAAM,QAAQ,GAAsB,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC;IAC1D,KAAK,CAAC,GAAG,CAAC,GAAG,QAAQ,CAAC;IACtB,OAAO,QAAQ,CAAC;AAClB,CAAC;AA8BD,SAAS,mBAAmB,CAC1B,MAAmB;IAEnB,IAAI,CAAC,MAAM,CAAC,KAAK;QAAE,MAAM,IAAI,KAAK,CAAC,oBAAoB,CAAC,CAAC;IACzD,IAAI,CAAC,MAAM,CAAC,MAAM;QAAE,MAAM,IAAI,KAAK,CAAC,qBAAqB,CAAC,CAAC;IAC3D,IAAI,CAAC,MAAM,CAAC,OAAO;QAAE,MAAM,IAAI,KAAK,CAAC,sBAAsB,CAAC,CAAC;AAC/D,CAAC;AACD;;;GAGG;AAEI,KAAK,UAAU,aAAa,CACjC,QAAkB,EAClB,UAAgC,EAAE;IAElC,IAAI,EAAE,GAAG,EAAE,QAAQ,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAE/C,IAAI,aAAa,EAAE;QACjB,OAAO,IAAA,iCAAe,EAAC,QAAQ,EAAE,EAAE,aAAa,EAAE,CAAC,CAAC;KACrD;IAED,IAAI,CAAC,QAAQ;QAAE,QAAQ,GAAG,MAAM,MAAM,CAAC,GAAG,CAAC,CAAC;IAE5C,IAAI,CAAC,QAAQ,EAAE;QACb,MAAM,IAAI,KAAK,CAAC,yBAAyB,CAAC,CAAC;KAC5C;IAED,MAAM,QAAQ,GAAG,QAAQ,CAAC,MAAM,GAAG,CAAC,CAAC;IAErC,IAAI,EAAE,aAAa,GAAG,QAAQ,EAAE,GAAG,OAAO,CAAC;IAE3C,IAAI,aAAa,GAAG,QAAQ;QAAE,aAAa,GAAG,QAAQ,CAAC;IAEvD,MAAM,EAAE,aAAa,EAAE,YAAY,EAAE,OAAO,EAAE,GAAG,IAAA,uCAAkB,EACjE,QAAQ,EACR;QACE,aAAa;KACd,CACF,CAAC;IAEF,IAAI,WAAW,GAAG,IAAA,yBAAW,EAAC,YAAY,EAAE,QAAQ,EAAE;QACpD,aAAa;KACd,CAAC,CAAC;IAEH,MAAM,OAAO,GAAG,aAAa,CAAC,WAAW,CAAC,CAAC;IAC3C,MAAM,aAAa,GAAG,iBAAiB,CAAC,OAAO,CAAC,CAAC;IACjD,OAAO;QACL,OAAO;QACP,OAAO,EAAE,KAAK;QACd,MAAM,EAAE,IAAA,qCAAiB,EAAC,aAAa,CAAC;QACxC,aAAa;QACb,OAAO;QACP,MAAM,EAAE,IAAA,iCAAe,EAAC,aAAa,CAAC;QACtC,QAAQ;KACT,CAAC;AACJ,CAAC;AA5CD,sCA4CC;AAED,SAAS,aAAa,CAAC,WAAyB;IAC9C,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,KAAK,MAAM,UAAU,IAAI,WAAW,EAAE;QACpC,MAAM,EAAE,KAAK,EAAE,OAAO,EAAE,KAAK,EAAE,MAAM,EAAE,SAAS,EAAE,GAAG,UAAU,CAAC;QAChE,MAAM,MAAM,GAAG;YACb,EAAE,EAAE,IAAA,SAAU,GAAE;YAChB,KAAK,EAAE,KAAK,IAAI,GAAG;YACnB,KAAK;YACL,MAAM;YACN,YAAY,EAAE,GAAG;YACjB,OAAO;YACP,SAAS;YACT,EAAE,EAAE,EAAE;SACP,CAAC;QACF,OAAO,CAAC,IAAI,CAAC,MAAqB,CAAC,CAAC;KACrC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED,SAAS,iBAAiB,CAAC,OAAsB;IAC/C,IAAI,aAAa,GAA8C,EAAE,CAAC;IAClE,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,mBAAmB,CAAC,MAAM,CAAC,CAAC;QAC5B,IAAI,KAAK,GAAG,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAI,CAAC,aAAa,CAAC,KAAK,CAAC,EAAE;YACzB,aAAa,CAAC,KAAK,CAAC,GAAG,IAAI,CAAC,KAAK,CAC/B,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CACG,CAAC;SAC7B;aAAM;YACL,aAAa,CAAC,KAAK,CAAC,CAAC,OAAO,IAAI,MAAM,CAAC,OAAO,CAAC;YAC/C,aAAa,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC;SAClD;KACF;IACD,OAAO,IAAA,eAAM,EAAC,MAAM,CAAC,MAAM,CAAC,aAAa,CAAC,CAAC,CAAC;AAC9C,CAAC"}

package/lib/prediction/predictHMBC.d.ts

@@ -1,7 +1,8 @@
+/// <reference path="../../src/ml-matrix-peaks-finder.d.ts" />
 import { Molecule } from 'openchemlib';
+import type { Prediction1D } from './Prediction1D';
 import type { PredictCarbonOptions } from './predictCarbon';
 import type { PredictProtonOptions } from './predictProton';
-import type { Prediction1D } from './prediction1D';
 import type { Predictor } from './utils/predict2D';
 /**
  * Generate the correlation bidimensional nmr peaks based on the number of bonds between a pair of atoms
@@ -58,10 +59,10 @@ export declare function predictHMBC(molecule: Molecule, options?: PredictHMBCOpt
     molfile: string;
     diaIDs: string[];
     nuclei: string[];
-    joinedSignals: import("..").NMRSignal2D[];
+    joinedSignals: import("..").NMRSignal2D<import("ml-matrix-peaks-finder").Peak2D>[];
     signals: any[];
     zones: {
-        signals: import("..").NMRSignal2D[];
+        signals: import("..").NMRSignal2D<import("ml-matrix-peaks-finder").Peak2D>[];
         x: {
             from: number;
             to: number;
@@ -70,6 +71,7 @@ export declare function predictHMBC(molecule: Molecule, options?: PredictHMBCOpt
             from: number;
             to: number;
         };
+        id: string;
     }[];
     molecule: Molecule;
 }>;

package/lib/prediction/predictHMBC.js.map

@@ -1 +1 @@
-{"version":3,"file":"predictHMBC.js","sourceRoot":"","sources":["../../src/prediction/predictHMBC.ts"],"names":[],"mappings":";;;AAEA,mDAAgD;AAEhD,mDAAgD;AAGhD,iDAA8C;AA+CvC,KAAK,UAAU,WAAW,CAC/B,QAAkB,EAClB,UAA8B,EAAE;IAEhC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,CAAC,EAAE,6BAAa,EAAE,EAClD,cAAc,EACd,WAAW,EACX,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,GACnC,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,qBAAS,EAAC,QAAQ,EAAE;QACzB,IAAI,EAAE,GAAG;QACT,EAAE,EAAE,GAAG;QACP,SAAS;QACT,SAAS;QACT,SAAS;QACT,WAAW;QACX,cAAc;QACd,YAAY;KACb,CAAC,CAAC;AACL,CAAC;AAvBD,kCAuBC"}
+{"version":3,"file":"predictHMBC.js","sourceRoot":"","sources":["../../src/prediction/predictHMBC.ts"],"names":[],"mappings":";;;AAGA,mDAAgD;AAEhD,mDAAgD;AAEhD,iDAA8C;AA+CvC,KAAK,UAAU,WAAW,CAC/B,QAAkB,EAClB,UAA8B,EAAE;IAEhC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,CAAC,EAAE,6BAAa,EAAE,EAClD,cAAc,EACd,WAAW,EACX,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,GACnC,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,qBAAS,EAAC,QAAQ,EAAE;QACzB,IAAI,EAAE,GAAG;QACT,EAAE,EAAE,GAAG;QACP,SAAS;QACT,SAAS;QACT,SAAS;QACT,WAAW;QACX,cAAc;QACd,YAAY;KACb,CAAC,CAAC;AACL,CAAC;AAvBD,kCAuBC"}

package/lib/prediction/predictHSQC.d.ts

@@ -1,7 +1,8 @@
+/// <reference path="../../src/ml-matrix-peaks-finder.d.ts" />
 import { Molecule } from 'openchemlib';
+import type { Prediction1D } from './Prediction1D';
 import { PredictCarbonOptions } from './predictCarbon';
 import { PredictProtonOptions } from './predictProton';
-import type { Prediction1D } from './prediction1D';
 import { Predictor } from './utils/predict2D';
 export interface PredictHSQCOptions {
     /**
@@ -58,10 +59,10 @@ export declare function predictHSQC(molecule: Molecule, options?: PredictHSQCOpt
     molfile: string;
     diaIDs: string[];
     nuclei: string[];
-    joinedSignals: import("..").NMRSignal2D[];
+    joinedSignals: import("..").NMRSignal2D<import("ml-matrix-peaks-finder").Peak2D>[];
     signals: any[];
     zones: {
-        signals: import("..").NMRSignal2D[];
+        signals: import("..").NMRSignal2D<import("ml-matrix-peaks-finder").Peak2D>[];
         x: {
             from: number;
             to: number;
@@ -70,6 +71,7 @@ export declare function predictHSQC(molecule: Molecule, options?: PredictHSQCOpt
             from: number;
             to: number;
         };
+        id: string;
     }[];
     molecule: Molecule;
 }>;

package/lib/prediction/predictHSQC.js.map

@@ -1 +1 @@
-{"version":3,"file":"predictHSQC.js","sourceRoot":"","sources":["../../src/prediction/predictHSQC.ts"],"names":[],"mappings":";;;AAEA,mDAAsE;AACtE,mDAAsE;AAEtE,iDAAyD;AAwCzD;;;GAGG;AAEI,KAAK,UAAU,WAAW,CAC/B,QAAkB,EAClB,UAA8B,EAAE;IAEhC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,CAAC,EAAE,6BAAa,EAAE,EAClD,WAAW,EACX,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,EAClC,cAAc,GACf,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,qBAAS,EAAC,QAAQ,EAAE;QACzB,IAAI,EAAE,GAAG;QACT,EAAE,EAAE,GAAG;QACP,SAAS;QACT,SAAS;QACT,SAAS;QACT,WAAW;QACX,cAAc;QACd,YAAY;KACb,CAAC,CAAC;AACL,CAAC;AAvBD,kCAuBC"}
+{"version":3,"file":"predictHSQC.js","sourceRoot":"","sources":["../../src/prediction/predictHSQC.ts"],"names":[],"mappings":";;;AAGA,mDAAsE;AACtE,mDAAsE;AACtE,iDAAyD;AAwCzD;;;GAGG;AAEI,KAAK,UAAU,WAAW,CAC/B,QAAkB,EAClB,UAA8B,EAAE;IAEhC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,CAAC,EACb,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,CAAC,EAAE,6BAAa,EAAE,EAClD,WAAW,EACX,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,EAClC,cAAc,GACf,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,qBAAS,EAAC,QAAQ,EAAE;QACzB,IAAI,EAAE,GAAG;QACT,EAAE,EAAE,GAAG;QACP,SAAS;QACT,SAAS;QACT,SAAS;QACT,WAAW;QACX,cAAc;QACd,YAAY;KACb,CAAC,CAAC;AACL,CAAC;AAvBD,kCAuBC"}

package/lib/prediction/predictProton.d.ts

@@ -1,5 +1,5 @@
 import type { Molecule } from 'openchemlib';
-import type { Prediction1D } from './prediction1D';
+import type { Prediction1D } from './Prediction1D';
 /**
  * Makes a prediction using proton.
  * @returns {Promise<object>} - object with molfile, diaIDs, signals, joined signals by diaIDs and ranges.

package/lib/prediction/predictProton.js

@@ -4,6 +4,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
 };
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.predictProton = void 0;
+const uuid_1 = require("@lukeed/uuid");
 const cross_fetch_1 = __importDefault(require("cross-fetch"));
 const form_data_1 = __importDefault(require("form-data"));
 const openchemlib_utils_1 = require("openchemlib-utils");
@@ -60,6 +61,7 @@ function protonParser(result, molecule, diaIDs) {
         let couplings = fields.slice(4);
         let atom = Number(fields[0]) - 1;
         let signal = {
+            id: (0, uuid_1.v4)(),
             atoms: [atom],
             diaIDs: [diaIDs[atom]],
             nbAtoms: 1,

package/lib/prediction/predictProton.js.map

@@ -1 +1 @@
-{"version":3,"file":"predictProton.js","sourceRoot":"","sources":["../../src/prediction/predictProton.ts"],"names":[],"mappings":";;;;;;AAAA,8DAAgC;AAChC,0DAAiC;AAEjC,yDAI2B;AAG3B,wDAAqD;AACrD,gEAA6D;AAkBtD,KAAK,UAAU,aAAa,CACjC,QAAkB,EAClB,UAAgC,EAAE;IAElC,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;IAC1B,QAAQ,GAAG,QAAQ,CAAC,cAAc,EAAE,CAAC;IACrC,QAAQ,CAAC,oBAAoB,EAAE,CAAC;IAChC,IAAA,qDAAiC,EAAC,QAAQ,CAAC,CAAC;IAC5C,MAAM,OAAO,GAAG,QAAQ,CAAC,SAAS,EAAE,CAAC;IAErC,IAAI,MAAM,CAAC;IACX,IAAI,KAAK,EAAE;QACT,MAAM,GAAG,KAAK,CAAC,OAAO,CAAC,CAAC;KACzB;IACD,IAAI,MAAM,KAAK,SAAS,EAAE;QACxB,MAAM,QAAQ,GAAG,IAAI,mBAAQ,EAAE,CAAC;QAChC,QAAQ,CAAC,MAAM,CAAC,SAAS,EAAE,OAAO,CAAC,CAAC;QACpC,MAAM,QAAQ,GAAG,MAAM,IAAA,qBAAK,EAAC,yCAAyC,EAAE;YACtE,MAAM,EAAE,MAAM;YACd,+DAA+D;YAC/D,IAAI,EAAE,QAAQ;SACf,CAAC,CAAC;QACH,MAAM,GAAG,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC;QAC/B,IAAI,KAAK,EAAE;YACT,KAAK,CAAC,OAAO,EAAE,MAAM,CAAC,CAAC;SACxB;KACF;IAED,MAAM,MAAM,GAAG,IAAA,4CAAwB,EAAC,QAAQ,CAAC,CAAC;IAClD,MAAM,OAAO,GAAG,YAAY,CAAC,MAAM,EAAE,QAAQ,EAAE,MAAM,CAAC,CAAC;IACvD,MAAM,aAAa,GAAG,IAAA,yBAAW,EAAC,OAAO,CAAC,CAAC;IAC3C,OAAO;QACL,OAAO;QACP,MAAM;QACN,OAAO,EAAE,IAAI;QACb,aAAa;QACb,OAAO;QACP,MAAM,EAAE,IAAA,iCAAe,EAAC,aAAa,CAAC;QACtC,QAAQ;KACT,CAAC;AACJ,CAAC;AAxCD,sCAwCC;AAED,SAAS,YAAY,CACnB,MAAc,EACd,QAAkB,EAClB,MAAgB;IAEhB,IAAI,QAAQ,CAAC,WAAW,EAAE,KAAK,CAAC;QAAE,OAAO,EAAE,CAAC;IAC5C,IAAI,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,EAAE;QAC1B,MAAM,KAAK,CAAC,wBAAwB,MAAM,EAAE,CAAC,CAAC;KAC/C;IACD,IAAI,cAAc,GAAG,IAAA,yCAAqB,EAAC,QAAQ,EAAE,EAAE,UAAU,EAAE,IAAI,EAAE,CAAC,CAAC;IAC3E,IAAI,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,CAAC;IACtD,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,KAAK,IAAI,IAAI,IAAI,KAAK,EAAE;QACtB,IAAI,MAAM,GAAa,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;QACxC,IAAI,SAAS,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAChC,IAAI,IAAI,GAAG,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;QACjC,IAAI,MAAM,GAAgB;YACxB,KAAK,EAAE,CAAC,IAAI,CAAC;YACb,MAAM,EAAE,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;YACtB,OAAO,EAAE,CAAC;YACV,KAAK,EAAE,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;YACxB,EAAE,EAAE,EAAE;SACP,CAAC;QAEF,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE;YACd,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;SACvD;QACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;YAC5C,IAAI,MAAM,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;YACtC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC;gBACb,QAAQ,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;gBAClC,KAAK,EAAE,CAAC,MAAM,CAAC;gBACf,MAAM,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;gBACxB,YAAY,EAAE,GAAG;gBACjB,UAAU,EAAE,cAAc,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC;aACzC,CAAC,CAAC;YACH,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,CAAC;SACnD;QACD,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;KACtB;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}
+{"version":3,"file":"predictProton.js","sourceRoot":"","sources":["../../src/prediction/predictProton.ts"],"names":[],"mappings":";;;;;;AAAA,uCAAgD;AAChD,8DAAgC;AAChC,0DAAiC;AAEjC,yDAI2B;AAG3B,wDAAqD;AACrD,gEAA6D;AAkBtD,KAAK,UAAU,aAAa,CACjC,QAAkB,EAClB,UAAgC,EAAE;IAElC,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;IAC1B,QAAQ,GAAG,QAAQ,CAAC,cAAc,EAAE,CAAC;IACrC,QAAQ,CAAC,oBAAoB,EAAE,CAAC;IAChC,IAAA,qDAAiC,EAAC,QAAQ,CAAC,CAAC;IAC5C,MAAM,OAAO,GAAG,QAAQ,CAAC,SAAS,EAAE,CAAC;IAErC,IAAI,MAAM,CAAC;IACX,IAAI,KAAK,EAAE;QACT,MAAM,GAAG,KAAK,CAAC,OAAO,CAAC,CAAC;KACzB;IACD,IAAI,MAAM,KAAK,SAAS,EAAE;QACxB,MAAM,QAAQ,GAAG,IAAI,mBAAQ,EAAE,CAAC;QAChC,QAAQ,CAAC,MAAM,CAAC,SAAS,EAAE,OAAO,CAAC,CAAC;QACpC,MAAM,QAAQ,GAAG,MAAM,IAAA,qBAAK,EAAC,yCAAyC,EAAE;YACtE,MAAM,EAAE,MAAM;YACd,+DAA+D;YAC/D,IAAI,EAAE,QAAQ;SACf,CAAC,CAAC;QACH,MAAM,GAAG,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC;QAC/B,IAAI,KAAK,EAAE;YACT,KAAK,CAAC,OAAO,EAAE,MAAM,CAAC,CAAC;SACxB;KACF;IAED,MAAM,MAAM,GAAG,IAAA,4CAAwB,EAAC,QAAQ,CAAC,CAAC;IAClD,MAAM,OAAO,GAAG,YAAY,CAAC,MAAM,EAAE,QAAQ,EAAE,MAAM,CAAC,CAAC;IACvD,MAAM,aAAa,GAAG,IAAA,yBAAW,EAAC,OAAO,CAAC,CAAC;IAC3C,OAAO;QACL,OAAO;QACP,MAAM;QACN,OAAO,EAAE,IAAI;QACb,aAAa;QACb,OAAO;QACP,MAAM,EAAE,IAAA,iCAAe,EAAC,aAAa,CAAC;QACtC,QAAQ;KACT,CAAC;AACJ,CAAC;AAxCD,sCAwCC;AAED,SAAS,YAAY,CACnB,MAAc,EACd,QAAkB,EAClB,MAAgB;IAEhB,IAAI,QAAQ,CAAC,WAAW,EAAE,KAAK,CAAC;QAAE,OAAO,EAAE,CAAC;IAC5C,IAAI,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,EAAE;QAC1B,MAAM,KAAK,CAAC,wBAAwB,MAAM,EAAE,CAAC,CAAC;KAC/C;IACD,IAAI,cAAc,GAAG,IAAA,yCAAqB,EAAC,QAAQ,EAAE,EAAE,UAAU,EAAE,IAAI,EAAE,CAAC,CAAC;IAC3E,IAAI,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,CAAC;IACtD,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,KAAK,IAAI,IAAI,IAAI,KAAK,EAAE;QACtB,IAAI,MAAM,GAAa,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;QACxC,IAAI,SAAS,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAChC,IAAI,IAAI,GAAG,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;QACjC,IAAI,MAAM,GAAgB;YACxB,EAAE,EAAE,IAAA,SAAU,GAAE;YAChB,KAAK,EAAE,CAAC,IAAI,CAAC;YACb,MAAM,EAAE,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;YACtB,OAAO,EAAE,CAAC;YACV,KAAK,EAAE,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;YACxB,EAAE,EAAE,EAAE;SACP,CAAC;QAEF,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE;YACd,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;SACvD;QACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;YAC5C,IAAI,MAAM,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;YACtC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC;gBACb,QAAQ,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;gBAClC,KAAK,EAAE,CAAC,MAAM,CAAC;gBACf,MAAM,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;gBACxB,YAAY,EAAE,GAAG;gBACjB,UAAU,EAAE,cAAc,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC;aACzC,CAAC,CAAC;YACH,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,CAAC;SACnD;QACD,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;KACtB;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}

package/lib/prediction/utils/fetchPrediction.d.ts

@@ -1,5 +1,5 @@
 import { Molecule } from 'openchemlib';
-import type { Prediction1D } from '../prediction1D';
+import type { Prediction1D } from '../Prediction1D';
 interface FetchPredictionOptions {
     webserviceURL: string;
 }

package/lib/prediction/utils/getPredictions.d.ts

@@ -1,4 +1,4 @@
 import type { Molecule } from 'openchemlib';
-import type { Prediction1D } from '../prediction1D';
+import type { Prediction1D } from '../Prediction1D';
 import type { Predictions, PredictOptions, Predictors } from './predict2D';
 export declare function getPredictions(key: string, molecule: Molecule, predictOptions: PredictOptions, predictor?: Predictors, predictions?: Predictions): Promise<Prediction1D | undefined>;

package/lib/prediction/utils/predict2D.d.ts

@@ -1,8 +1,9 @@
+/// <reference path="../../../src/ml-matrix-peaks-finder.d.ts" />
 import { Molecule } from 'openchemlib';
 import type { NMRSignal2D } from '../../xyz/NMRSignal2D';
+import type { Prediction1D } from '../Prediction1D';
 import type { PredictCarbon, PredictCarbonOptions } from '../predictCarbon';
 import type { PredictProton, PredictProtonOptions } from '../predictProton';
-import type { Prediction1D } from '../prediction1D';
 /**
  * Generate the correlation bidimensional nmr peaks based on the number of bonds between a pair of atoms
  * @returns {object} - object with molfile, diaIDs, 2D signals and zones.
@@ -75,10 +76,10 @@ export declare function predict2D(molecule: Molecule, options?: Predict2DOptions
     molfile: string;
     diaIDs: string[];
     nuclei: string[];
-    joinedSignals: NMRSignal2D[];
+    joinedSignals: NMRSignal2D<import("ml-matrix-peaks-finder").Peak2D>[];
     signals: any[];
     zones: {
-        signals: NMRSignal2D[];
+        signals: NMRSignal2D<import("ml-matrix-peaks-finder").Peak2D>[];
         x: {
             from: number;
             to: number;
@@ -87,6 +88,7 @@ export declare function predict2D(molecule: Molecule, options?: Predict2DOptions
             from: number;
             to: number;
         };
+        id: string;
     }[];
     molecule: Molecule;
 }>;

package/lib/prediction/utils/predict2D.js

@@ -1,9 +1,11 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.predict2D = void 0;
+const uuid_1 = require("@lukeed/uuid");
 const ml_hclust_1 = require("ml-hclust");
 const ml_matrix_1 = require("ml-matrix");
 const openchemlib_utils_1 = require("openchemlib-utils");
+const setIDs_1 = require("../../peaks/util/setIDs");
 const getNuclei_1 = require("./getNuclei");
 const getPredictions_1 = require("./getPredictions");
 function checkFromTo(options) {
@@ -70,8 +72,8 @@ async function predict2D(molecule, options = {}) {
             if (key === `${pathInfo.oclID}-${pathInfo.oclID}` || group[key]) {
                 continue;
             }
-            let peak = { z: 100 };
-            let signal = { x: {}, y: {} };
+            let peak = { id: (0, uuid_1.v4)(), z: 100 };
+            let signal = { id: (0, uuid_1.v4)(), x: {}, y: {} };
             for (let axis in fromToDiaID) {
                 let diaID = fromToDiaID[axis].oclID;
                 peak[axis] = signalsByDiaID[axis][diaID].delta;
@@ -112,7 +114,7 @@ function splitSignals(joinedSignals) {
             }
         }
     }
-    return signals;
+    return (0, setIDs_1.setIDs)(signals);
 }
 function addSelftCorrelation(group, options) {
     const { paths = [], signalsByDiaID } = options;
@@ -160,6 +162,7 @@ function createZones(signals, options) {
             }
         }
         zones.push({
+            id: (0, uuid_1.v4)(),
             ...fromTo(signal, { joinDistance, from, to }),
             signals: signal,
         });

package/lib/prediction/utils/predict2D.js.map

@@ -1 +1 @@
-{"version":3,"file":"predict2D.js","sourceRoot":"","sources":["../../../src/prediction/utils/predict2D.ts"],"names":[],"mappings":";;;AAAA,yCAA2C;AAC3C,yCAAmC;AAEnC,yDAG2B;AAc3B,2CAAwC;AACxC,qDAAkD;AAsFlD,SAAS,WAAW,CAClB,OAAyB;IAEzB,IAAI,CAAC,OAAO,CAAC,IAAI,IAAI,CAAC,OAAO,CAAC,EAAE,EAAE;QAChC,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACtD;AACH,CAAC;AAMM,KAAK,UAAU,SAAS,CAC7B,QAAkB,EAClB,UAA4B,EAAE;IAE9B,WAAW,CAAC,OAAO,CAAC,CAAC;IAErB,IAAI,EACF,IAAI,EACJ,EAAE,EACF,SAAS,GAAG,CAAC,EACb,SAAS,EACT,cAAc,GAAG,EAAE,EACnB,WAAW,EACX,SAAS,EACT,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,EAClC,eAAe,GAAG,KAAK,GACxB,GAAG,OAAO,CAAC;IAEZ,QAAQ,CAAC,oBAAoB,EAAE,CAAC;IAEhC,IAAI,MAAM,GAAG,IAAA,mDAA+B,EAAC,QAAQ,CAAC,CAAC;IAEvD,MAAM,SAAS,GAAG,IAAA,gCAAY,EAAC,QAAQ,EAAE;QACvC,SAAS,EAAE,IAAI;QACf,OAAO,EAAE,EAAE;QACX,SAAS;QACT,SAAS;KACV,CAAC,CAAC;IAEH,IAAI,kBAAkB,GAA6C,EAAE,CAAC;IACtE,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,kBAAkB,CAAC,IAAI,CAAC;YACtB,GAAG,KAAK;YACR,QAAQ,EAAE,IAAI,CAAC,KAAK,CAClB,IAAI,CAAC,SAAS,CAAC,SAAS,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAC9B;SACd,CAAC,CAAC;KACJ;IAED,MAAM,WAAW,GAAG,MAAM,IAAA,+BAAc,EACtC,IAAI,EACJ,QAAQ,EACR,cAAc,EACd,SAAS,EACT,WAAW,CACZ,CAAC;IAEF,MAAM,WAAW,GACf,IAAI,KAAK,EAAE;QACT,CAAC,CAAC,WAAW;QACb,CAAC,CAAC,MAAM,IAAA,+BAAc,EAClB,EAAE,EACF,QAAQ,EACR,cAAc,EACd,SAAS,EACT,WAAW,CACZ,CAAC;IAER,IAAI,CAAC,WAAW,IAAI,CAAC,WAAW,EAAE;QAChC,MAAM,IAAI,KAAK,CAAC,gCAAgC,CAAC,CAAC;KACnD;IAED,MAAM,OAAO,GAAoC;QAC/C,CAAC,EAAE,WAAW;QACd,CAAC,EAAE,WAAW;KACf,CAAC;IAEF,MAAM,cAAc,GAAoB;QACtC,CAAC,EAAE,EAAE;QACL,CAAC,EAAE,EAAE;KACN,CAAC;IACF,KAAK,MAAM,IAAI,IAAI,cAAc,EAAE;QACjC,KAAK,MAAM,MAAM,IAAI,OAAO,CAAC,IAAI,CAAC,CAAC,aAAa,EAAE;YAChD,IAAI,CAAC,MAAM,CAAC,MAAM;gBAAE,MAAM,IAAI,KAAK,CAAC,uBAAuB,CAAC,CAAC;YAC7D,cAAc,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,MAAM,CAAC;SACjD;KACF;IACD,IAAI,KAAK,GAAmC,EAAE,CAAC;IAC/C,KAAK,MAAM,KAAK,IAAI,kBAAkB,EAAE;QACtC,MAAM,QAAQ,GAAG,KAAK,CAAC,QAAQ,CAAC;QAChC,IAAI,QAAQ,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC;YAAE,SAAS;QAExC,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,QAAQ,CAAC,KAAK,CAAC;YAAE,SAAS;QAEhD,MAAM,YAAY,GAAG,QAAQ,CAAC,KAAK,CAAC;QACpC,KAAK,MAAM,IAAI,IAAI,YAAY,EAAE;YAC/B,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,SAAS,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,KAAK,CAAC;gBAAE,SAAS;YAE1D,IAAI,WAAW,GAAgC;gBAC7C,CAAC,EAAE,QAAQ;gBACX,CAAC,EAAE,SAAS,CAAC,IAAI,CAAC,EAAE,CAAC;aACtB,CAAC;YAEF,MAAM,GAAG,GAAG,GAAG,WAAW,CAAC,CAAC,CAAC,KAAK,IAAI,WAAW,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC;YAE5D,IAAI,GAAG,KAAK,GAAG,QAAQ,CAAC,KAAK,IAAI,QAAQ,CAAC,KAAK,EAAE,IAAI,KAAK,CAAC,GAAG,CAAC,EAAE;gBAC/D,SAAS;aACV;YAED,IAAI,IAAI,GAAQ,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC;YAC3B,IAAI,MAAM,GAAQ,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;YACnC,KAAK,IAAI,IAAI,IAAI,WAAW,EAAE;gBAC5B,IAAI,KAAK,GAAG,WAAW,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC;gBACpC,IAAI,CAAC,IAAI,CAAC,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;gBAC/C,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;gBACvD,MAAM,CAAC,IAAI,CAAC,CAAC,MAAM,GAAG,CAAC,KAAK,CAAC,CAAC;gBAC9B,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;aACxD;YAED,MAAM,CAAC,KAAK,GAAG,CAAC,IAAI,CAAC,CAAC;YACtB,KAAK,CAAC,GAAG,CAAC,GAAG,MAAqB,CAAC;SACpC;KACF;IAED,IAAI,eAAe,EAAE;QACnB,mBAAmB,CAAC,KAAK,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,cAAc,EAAE,CAAC,CAAC;KAClE;IAED,iCAAiC;IACjC,MAAM,aAAa,GAAG,MAAM,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC;IAC3C,MAAM,KAAK,GAAG,WAAW,CAAC,aAAa,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,CAAC,CAAC;IAErE,OAAO;QACL,OAAO,EAAE,QAAQ,CAAC,SAAS,EAAE;QAC7B,MAAM,EAAE,OAAO,CAAC,CAAC,CAAC,MAAM;QACxB,MAAM,EAAE,IAAA,qBAAS,EAAC,EAAE,IAAI,EAAE,EAAE,EAAE,CAAC;QAC/B,aAAa;QACb,OAAO,EAAE,YAAY,CAAC,aAAa,CAAC;QACpC,KAAK;QACL,QAAQ;KACT,CAAC;AACJ,CAAC;AAnID,8BAmIC;AAED,SAAS,YAAY,CAAC,aAA4B;IAChD,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,KAAK,MAAM,MAAM,IAAI,aAAa,EAAE;QAClC,KAAK,MAAM,KAAK,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE,EAAE;YACxC,KAAK,MAAM,KAAK,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE,EAAE;gBACxC,IAAI,SAAS,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC;gBACnD,SAAS,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,KAAK,CAAC,CAAC;gBAC5B,SAAS,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,KAAK,CAAC,CAAC;gBAC5B,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;aACzB;SACF;KACF;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAMD,SAAS,mBAAmB,CAC1B,KAAqC,EACrC,OAAmC;IAEnC,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,cAAc,EAAE,GAAG,OAAO,CAAC;IAC/C,KAAK,MAAM,IAAI,IAAI,KAAK,EAAE;QACxB,IAAI,IAAI,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC;YAAE,SAAS;QAEpC,IAAI,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC;QACvB,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,KAAK,CAAC;YAAE,SAAS;QACvC,IAAI,KAAK,CAAC,GAAG,KAAK,IAAI,KAAK,EAAE,CAAC;YAAE,SAAS;QAEzC,IAAI,MAAM,GAAQ,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;QAEnC,IAAI,IAAI,GAAQ,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC;QACzB,KAAK,IAAI,IAAI,IAAI,CAAC,GAAG,EAAE,GAAG,CAAC,EAAE;YAC3B,IAAI,CAAC,IAAI,CAAC,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;YAC/C,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;YACvD,MAAM,CAAC,IAAI,CAAC,CAAC,MAAM,GAAG,CAAC,KAAK,CAAC,CAAC;YAC9B,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;SACxD;QAED,MAAM,CAAC,KAAK,GAAG,CAAC,IAAI,CAAC,CAAC;QAEtB,KAAK,CAAC,GAAG,IAAI,CAAC,KAAK,IAAI,IAAI,CAAC,KAAK,EAAE,CAAC,GAAG,MAAqB,CAAC;KAC9D;AACH,CAAC;AAOD,SAAS,WAAW,CAAC,OAAsB,EAAE,OAA2B;IACtE,MAAM,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC;IAC3C,MAAM,MAAM,GAAG,IAAI,kBAAM,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAEtE,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IAEjC,MAAM,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC;IACvC,MAAM,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC;IAEvC,MAAM,MAAM,GAAG,IAAI,CAAC,IAAI,CACtB,IAAI,CAAC,GAAG,CAAC,YAAY,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,EAAE,CAAC,CAAC;QAC7C,IAAI,CAAC,GAAG,CAAC,YAAY,CAAC,EAAE,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,EAAE,CAAC,CAAC,CAChD,CAAC;IAEF,IAAI,SAAS,GAAG,IAAA,iBAAK,EAAC,MAAM,CAAC,SAAS,EAAE,EAAE,EAAE,MAAM,EAAE,UAAU,EAAE,CAAC,CAAC;IAClE,MAAM,QAAQ,GAAG,aAAa,CAAC,CAAC,SAAS,CAAC,EAAE,MAAM,CAAC,CAAC;IAEpD,MAAM,KAAK,GAAG,EAAE,CAAC;IACjB,KAAK,MAAM,OAAO,IAAI,QAAQ,EAAE;QAC9B,MAAM,MAAM,GAAG,EAAE,CAAC;QAClB,IAAI,OAAO,CAAC,MAAM;YAAE,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC;QACxD,KAAK,MAAM,KAAK,IAAI,OAAO,CAAC,QAAQ,EAAE;YACpC,KAAK,MAAM,KAAK,IAAI,KAAK,CAAC,OAAO,EAAE,EAAE;gBACnC,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC;aAC7B;SACF;QAED,KAAK,CAAC,IAAI,CAAC;YACT,GAAG,MAAM,CAAC,MAAM,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,CAAC;YAC7C,OAAO,EAAE,MAAM;SAChB,CAAC,CAAC;KACJ;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,SAAS,MAAM,CAAC,OAAsB,EAAE,OAA2B;IACjE,MAAM,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC;IAC3C,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;QACjD,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;QACjD,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;QACjD,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;KAClD;IACD,OAAO;QACL,CAAC,EAAE,EAAE,IAAI,EAAE,IAAI,GAAG,YAAY,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,IAAI,GAAG,YAAY,CAAC,IAAI,CAAC,EAAE;QACrE,CAAC,EAAE,EAAE,IAAI,EAAE,IAAI,GAAG,YAAY,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,IAAI,GAAG,YAAY,CAAC,EAAE,CAAC,EAAE;KAClE,CAAC;AACJ,CAAC;AAED,SAAS,aAAa,CAAC,QAAmB,EAAE,WAAmB;IAC7D,IAAI,cAAc,GAAG,QAAQ,CAAC,MAAM,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACxC,MAAM,OAAO,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,OAAO,CAAC,MAAM,GAAG,WAAW,EAAE;YAChC,QAAQ,CAAC,IAAI,CAAC,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YACnC,QAAQ,CAAC,MAAM,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SACzB;KACF;IACD,OAAO,QAAQ,CAAC,MAAM,GAAG,cAAc;QACrC,CAAC,CAAC,aAAa,CAAC,QAAQ,EAAE,WAAW,CAAC;QACtC,CAAC,CAAC,QAAQ,CAAC;AACf,CAAC"}
+{"version":3,"file":"predict2D.js","sourceRoot":"","sources":["../../../src/prediction/utils/predict2D.ts"],"names":[],"mappings":";;;AAAA,uCAAgD;AAChD,yCAA2C;AAC3C,yCAAmC;AAEnC,yDAG2B;AAO3B,oDAAiD;AAQjD,2CAAwC;AACxC,qDAAkD;AAsFlD,SAAS,WAAW,CAClB,OAAyB;IAEzB,IAAI,CAAC,OAAO,CAAC,IAAI,IAAI,CAAC,OAAO,CAAC,EAAE,EAAE;QAChC,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACtD;AACH,CAAC;AAMM,KAAK,UAAU,SAAS,CAC7B,QAAkB,EAClB,UAA4B,EAAE;IAE9B,WAAW,CAAC,OAAO,CAAC,CAAC;IAErB,IAAI,EACF,IAAI,EACJ,EAAE,EACF,SAAS,GAAG,CAAC,EACb,SAAS,EACT,cAAc,GAAG,EAAE,EACnB,WAAW,EACX,SAAS,EACT,YAAY,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,GAAG,EAAE,EAClC,eAAe,GAAG,KAAK,GACxB,GAAG,OAAO,CAAC;IAEZ,QAAQ,CAAC,oBAAoB,EAAE,CAAC;IAEhC,IAAI,MAAM,GAAG,IAAA,mDAA+B,EAAC,QAAQ,CAAC,CAAC;IAEvD,MAAM,SAAS,GAAG,IAAA,gCAAY,EAAC,QAAQ,EAAE;QACvC,SAAS,EAAE,IAAI;QACf,OAAO,EAAE,EAAE;QACX,SAAS;QACT,SAAS;KACV,CAAC,CAAC;IAEH,IAAI,kBAAkB,GAA6C,EAAE,CAAC;IACtE,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,kBAAkB,CAAC,IAAI,CAAC;YACtB,GAAG,KAAK;YACR,QAAQ,EAAE,IAAI,CAAC,KAAK,CAClB,IAAI,CAAC,SAAS,CAAC,SAAS,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAC9B;SACd,CAAC,CAAC;KACJ;IAED,MAAM,WAAW,GAAG,MAAM,IAAA,+BAAc,EACtC,IAAI,EACJ,QAAQ,EACR,cAAc,EACd,SAAS,EACT,WAAW,CACZ,CAAC;IAEF,MAAM,WAAW,GACf,IAAI,KAAK,EAAE;QACT,CAAC,CAAC,WAAW;QACb,CAAC,CAAC,MAAM,IAAA,+BAAc,EAClB,EAAE,EACF,QAAQ,EACR,cAAc,EACd,SAAS,EACT,WAAW,CACZ,CAAC;IAER,IAAI,CAAC,WAAW,IAAI,CAAC,WAAW,EAAE;QAChC,MAAM,IAAI,KAAK,CAAC,gCAAgC,CAAC,CAAC;KACnD;IAED,MAAM,OAAO,GAAoC;QAC/C,CAAC,EAAE,WAAW;QACd,CAAC,EAAE,WAAW;KACf,CAAC;IAEF,MAAM,cAAc,GAAoB;QACtC,CAAC,EAAE,EAAE;QACL,CAAC,EAAE,EAAE;KACN,CAAC;IACF,KAAK,MAAM,IAAI,IAAI,cAAc,EAAE;QACjC,KAAK,MAAM,MAAM,IAAI,OAAO,CAAC,IAAI,CAAC,CAAC,aAAa,EAAE;YAChD,IAAI,CAAC,MAAM,CAAC,MAAM;gBAAE,MAAM,IAAI,KAAK,CAAC,uBAAuB,CAAC,CAAC;YAC7D,cAAc,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,MAAM,CAAC;SACjD;KACF;IACD,IAAI,KAAK,GAAmC,EAAE,CAAC;IAC/C,KAAK,MAAM,KAAK,IAAI,kBAAkB,EAAE;QACtC,MAAM,QAAQ,GAAG,KAAK,CAAC,QAAQ,CAAC;QAChC,IAAI,QAAQ,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC;YAAE,SAAS;QAExC,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,QAAQ,CAAC,KAAK,CAAC;YAAE,SAAS;QAEhD,MAAM,YAAY,GAAG,QAAQ,CAAC,KAAK,CAAC;QACpC,KAAK,MAAM,IAAI,IAAI,YAAY,EAAE;YAC/B,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,SAAS,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,KAAK,CAAC;gBAAE,SAAS;YAE1D,IAAI,WAAW,GAAgC;gBAC7C,CAAC,EAAE,QAAQ;gBACX,CAAC,EAAE,SAAS,CAAC,IAAI,CAAC,EAAE,CAAC;aACtB,CAAC;YAEF,MAAM,GAAG,GAAG,GAAG,WAAW,CAAC,CAAC,CAAC,KAAK,IAAI,WAAW,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC;YAE5D,IAAI,GAAG,KAAK,GAAG,QAAQ,CAAC,KAAK,IAAI,QAAQ,CAAC,KAAK,EAAE,IAAI,KAAK,CAAC,GAAG,CAAC,EAAE;gBAC/D,SAAS;aACV;YAED,IAAI,IAAI,GAAQ,EAAE,EAAE,EAAE,IAAA,SAAU,GAAE,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC;YAC7C,IAAI,MAAM,GAAQ,EAAE,EAAE,EAAE,IAAA,SAAU,GAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;YACrD,KAAK,IAAI,IAAI,IAAI,WAAW,EAAE;gBAC5B,IAAI,KAAK,GAAG,WAAW,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC;gBACpC,IAAI,CAAC,IAAI,CAAC,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;gBAC/C,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;gBACvD,MAAM,CAAC,IAAI,CAAC,CAAC,MAAM,GAAG,CAAC,KAAK,CAAC,CAAC;gBAC9B,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;aACxD;YAED,MAAM,CAAC,KAAK,GAAG,CAAC,IAAI,CAAC,CAAC;YACtB,KAAK,CAAC,GAAG,CAAC,GAAG,MAAqB,CAAC;SACpC;KACF;IAED,IAAI,eAAe,EAAE;QACnB,mBAAmB,CAAC,KAAK,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,cAAc,EAAE,CAAC,CAAC;KAClE;IAED,iCAAiC;IACjC,MAAM,aAAa,GAAG,MAAM,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC;IAC3C,MAAM,KAAK,GAAG,WAAW,CAAC,aAAa,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,CAAC,CAAC;IAErE,OAAO;QACL,OAAO,EAAE,QAAQ,CAAC,SAAS,EAAE;QAC7B,MAAM,EAAE,OAAO,CAAC,CAAC,CAAC,MAAM;QACxB,MAAM,EAAE,IAAA,qBAAS,EAAC,EAAE,IAAI,EAAE,EAAE,EAAE,CAAC;QAC/B,aAAa;QACb,OAAO,EAAE,YAAY,CAAC,aAAa,CAAC;QACpC,KAAK;QACL,QAAQ;KACT,CAAC;AACJ,CAAC;AAnID,8BAmIC;AAED,SAAS,YAAY,CAAC,aAA4B;IAChD,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,KAAK,MAAM,MAAM,IAAI,aAAa,EAAE;QAClC,KAAK,MAAM,KAAK,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE,EAAE;YACxC,KAAK,MAAM,KAAK,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE,EAAE;gBACxC,IAAI,SAAS,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC;gBACnD,SAAS,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,KAAK,CAAC,CAAC;gBAC5B,SAAS,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,KAAK,CAAC,CAAC;gBAC5B,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;aACzB;SACF;KACF;IACD,OAAO,IAAA,eAAM,EAAC,OAAO,CAAC,CAAC;AACzB,CAAC;AAMD,SAAS,mBAAmB,CAC1B,KAAqC,EACrC,OAAmC;IAEnC,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,cAAc,EAAE,GAAG,OAAO,CAAC;IAC/C,KAAK,MAAM,IAAI,IAAI,KAAK,EAAE;QACxB,IAAI,IAAI,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC;YAAE,SAAS;QAEpC,IAAI,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC;QACvB,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,KAAK,CAAC;YAAE,SAAS;QACvC,IAAI,KAAK,CAAC,GAAG,KAAK,IAAI,KAAK,EAAE,CAAC;YAAE,SAAS;QAEzC,IAAI,MAAM,GAAQ,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC;QAEnC,IAAI,IAAI,GAAQ,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC;QACzB,KAAK,IAAI,IAAI,IAAI,CAAC,GAAG,EAAE,GAAG,CAAC,EAAE;YAC3B,IAAI,CAAC,IAAI,CAAC,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;YAC/C,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;YACvD,MAAM,CAAC,IAAI,CAAC,CAAC,MAAM,GAAG,CAAC,KAAK,CAAC,CAAC;YAC9B,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;SACxD;QAED,MAAM,CAAC,KAAK,GAAG,CAAC,IAAI,CAAC,CAAC;QAEtB,KAAK,CAAC,GAAG,IAAI,CAAC,KAAK,IAAI,IAAI,CAAC,KAAK,EAAE,CAAC,GAAG,MAAqB,CAAC;KAC9D;AACH,CAAC;AAOD,SAAS,WAAW,CAAC,OAAsB,EAAE,OAA2B;IACtE,MAAM,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC;IAC3C,MAAM,MAAM,GAAG,IAAI,kBAAM,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAEtE,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,IAAI,GAAG,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;IAEjC,MAAM,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC;IACvC,MAAM,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC;IAEvC,MAAM,MAAM,GAAG,IAAI,CAAC,IAAI,CACtB,IAAI,CAAC,GAAG,CAAC,YAAY,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,EAAE,CAAC,CAAC;QAC7C,IAAI,CAAC,GAAG,CAAC,YAAY,CAAC,EAAE,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,EAAE,CAAC,CAAC,CAChD,CAAC;IAEF,IAAI,SAAS,GAAG,IAAA,iBAAK,EAAC,MAAM,CAAC,SAAS,EAAE,EAAE,EAAE,MAAM,EAAE,UAAU,EAAE,CAAC,CAAC;IAClE,MAAM,QAAQ,GAAG,aAAa,CAAC,CAAC,SAAS,CAAC,EAAE,MAAM,CAAC,CAAC;IAEpD,MAAM,KAAK,GAAG,EAAE,CAAC;IACjB,KAAK,MAAM,OAAO,IAAI,QAAQ,EAAE;QAC9B,MAAM,MAAM,GAAG,EAAE,CAAC;QAClB,IAAI,OAAO,CAAC,MAAM;YAAE,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC;QACxD,KAAK,MAAM,KAAK,IAAI,OAAO,CAAC,QAAQ,EAAE;YACpC,KAAK,MAAM,KAAK,IAAI,KAAK,CAAC,OAAO,EAAE,EAAE;gBACnC,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC;aAC7B;SACF;QAED,KAAK,CAAC,IAAI,CAAC;YACT,EAAE,EAAE,IAAA,SAAU,GAAE;YAChB,GAAG,MAAM,CAAC,MAAM,EAAE,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,CAAC;YAC7C,OAAO,EAAE,MAAM;SAChB,CAAC,CAAC;KACJ;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,SAAS,MAAM,CAAC,OAAsB,EAAE,OAA2B;IACjE,MAAM,EAAE,YAAY,EAAE,IAAI,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC;IAC3C,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,IAAI,IAAI,GAAG,MAAM,CAAC,gBAAgB,CAAC;IACnC,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;QACjD,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;QACjD,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;QACjD,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,IAAI;YAAE,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC;KAClD;IACD,OAAO;QACL,CAAC,EAAE,EAAE,IAAI,EAAE,IAAI,GAAG,YAAY,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,IAAI,GAAG,YAAY,CAAC,IAAI,CAAC,EAAE;QACrE,CAAC,EAAE,EAAE,IAAI,EAAE,IAAI,GAAG,YAAY,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,IAAI,GAAG,YAAY,CAAC,EAAE,CAAC,EAAE;KAClE,CAAC;AACJ,CAAC;AAED,SAAS,aAAa,CAAC,QAAmB,EAAE,WAAmB;IAC7D,IAAI,cAAc,GAAG,QAAQ,CAAC,MAAM,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACxC,MAAM,OAAO,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,OAAO,CAAC,MAAM,GAAG,WAAW,EAAE;YAChC,QAAQ,CAAC,IAAI,CAAC,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YACnC,QAAQ,CAAC,MAAM,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SACzB;KACF;IACD,OAAO,QAAQ,CAAC,MAAM,GAAG,cAAc;QACrC,CAAC,CAAC,aAAa,CAAC,QAAQ,EAAE,WAAW,CAAC;QACtC,CAAC,CAAC,QAAQ,CAAC;AACf,CAAC"}

package/lib/ranges/markSolventSignal.js

@@ -1,16 +1,14 @@
 "use strict";
-var __importDefault = (this && this.__importDefault) || function (mod) {
-    return (mod && mod.__esModule) ? mod : { "default": mod };
-};
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.markSolventPeaks = void 0;
-const generateID_1 = __importDefault(require("../assignment/utils/generateID"));
+const uuid_1 = require("@lukeed/uuid");
 const checkIDs_1 = require("../assignment/utils/getAssignment/checkIDs");
 const peaksToRanges_1 = require("../peaks/peaksToRanges");
 const solventSuppression_1 = require("../peaks/solventSuppression");
+const clone_1 = require("../utilities/clone");
 function markSolventPeaks(input, solventSignals, options = {}) {
     const { frequency = 400 } = options;
-    const ranges = (0, checkIDs_1.addIDs)([...input]);
+    const ranges = (0, checkIDs_1.addIDs)((0, clone_1.cloneArray)(input));
     let peakList = [];
     for (const range of ranges) {
         const rangeID = range.id;
@@ -85,7 +83,7 @@ function adaptSignals(signals) {
     const newSignals = [];
     for (let signal of signals) {
         const signalResult = {
-            id: (0, generateID_1.default)(),
+            id: (0, uuid_1.v4)(),
             delta: signal.delta,
             kind: signal.kind || 'signal',
             multiplicity: signal.multiplicity,

package/lib/ranges/markSolventSignal.js.map

@@ -1 +1 @@
-{"version":3,"file":"markSolventSignal.js","sourceRoot":"","sources":["../../src/ranges/markSolventSignal.ts"],"names":[],"mappings":";;;;;;AACA,gFAAwD;AACxD,yEAAoE;AAEpE,0DAAuD;AACvD,oEAAiE;AAUjE,SAAgB,gBAAgB,CAC9B,KAAU,EACV,cAA6B,EAC7B,UAAe,EAAE;IAEjB,MAAM,EAAE,SAAS,GAAG,GAAG,EAAE,GAAG,OAAO,CAAC;IACpC,MAAM,MAAM,GAAG,IAAA,iBAAM,EAAC,CAAC,GAAG,KAAK,CAAC,CAAsB,CAAC;IAEvD,IAAI,QAAQ,GAA4B,EAAE,CAAC;IAC3C,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE;QAC1B,MAAM,OAAO,GAAG,KAAK,CAAC,EAAE,CAAC;QACzB,KAAK,MAAM,MAAM,IAAI,KAAK,CAAC,OAAO,IAAI,EAAE,EAAE;YACxC,MAAM,QAAQ,GAAG,MAAM,CAAC,EAAE,CAAC;YAC3B,KAAK,IAAI,IAAI,IAAI,MAAM,CAAC,KAAK,IAAI,EAAE,EAAE;gBACnC,QAAQ,CAAC,IAAI,CAAC;oBACZ,GAAG,IAAI;oBACP,OAAO;oBACP,QAAQ;iBACT,CAAC,CAAC;aACJ;SACF;KACF;IAED,MAAM,KAAK,GAAG,IAAA,uCAAkB,EAAC,QAAQ,EAAE,cAAc,EAAE;QACzD,gBAAgB,EAAE,IAAI;KACvB,CAAC,CAAC;IAEH,MAAM,kBAAkB,GAAG,uBAAuB,CAAC,KAAK,CAAC,CAAC;IAC1D,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,IAAI,CAAC,KAAK,CAAC,OAAO;YAAE,SAAS;QAC7B,KAAK,IAAI,MAAM,IAAI,KAAK,CAAC,OAAO,EAAE;YAChC,IAAI,CAAC,kBAAkB,CAAC,QAAQ,CAAC,MAAM,CAAC,EAAE,CAAC;gBAAE,SAAS;YACtD,MAAM,WAAW,GAAG,EAAE,CAAC;YACvB,MAAM,kBAAkB,GAAG,EAAE,CAAC;YAC9B,KAAK,IAAI,IAAI,IAAI,KAAK,EAAE;gBACtB,IAAI,IAAI,CAAC,QAAQ,KAAK,MAAM,CAAC,EAAE,EAAE;oBAC/B,MAAM,EAAE,QAAQ,EAAE,OAAO,EAAE,GAAG,OAAO,EAAE,GAAG,IAAI,CAAC;oBAC/C,IAAI,IAAI,CAAC,IAAI,KAAK,SAAS,EAAE;wBAC3B,kBAAkB,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;qBAClC;yBAAM;wBACL,WAAW,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;qBAC3B;iBACF;aACF;YACD,MAAM,UAAU,GACd,WAAW,CAAC,MAAM,GAAG,CAAC;gBACpB,CAAC,CAAC,IAAA,6BAAa,EAAC,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,WAAW,EAAE;oBAC3C,YAAY,EAAE,MAAM;oBACpB,SAAS;iBACV,CAAC;gBACJ,CAAC,CAAC,EAAE,CAAC;YACT,kBAAkB,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;YAC7C,MAAM,WAAW,GAAG,kBAAkB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YAC5C,MAAM,YAAY,GAAG,kBAAkB,CAAC,kBAAkB,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;YACzE,MAAM,iBAAiB,GAAG,IAAA,6BAAa,EACrC,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,EAChB,kBAAkB,EAClB;gBACE,YAAY,EAAE,MAAM;gBACpB,gBAAgB,EAAE,CAAC,YAAY,GAAG,WAAW,CAAC,GAAG,SAAS;gBAC1D,SAAS;aACV,CACF,CAAC;YAEF,KAAK,CAAC,OAAO,GAAG;gBACd,GAAG,YAAY,CAAC,UAAU,CAAC;gBAC3B,GAAG,YAAY,CAAC,iBAAiB,CAAC;gBAClC,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,CAAC,CAAC,UAAU,EAAE,EAAE,CAAC,UAAU,CAAC,EAAE,KAAK,MAAM,CAAC,EAAE,CAAC;aACrE,CAAC;SACH;KACF;IACD,OAAO,MAAa,CAAC;AACvB,CAAC;AAxED,4CAwEC;AAED,SAAS,uBAAuB,CAAC,YAAqC;IACpE,MAAM,cAAc,GAAG,IAAI,GAAG,EAAE,CAAC;IACjC,KAAK,IAAI,IAAI,IAAI,YAAY,EAAE;QAC7B,IAAI,IAAI,CAAC,IAAI,KAAK,SAAS;YAAE,SAAS;QACtC,cAAc,CAAC,GAAG,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;KACnC;IACD,OAAO,KAAK,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;AACpC,CAAC;AAED,SAAS,YAAY,CAAC,OAAuB;IAC3C,MAAM,UAAU,GAAG,EAAE,CAAC;IACtB,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,MAAM,YAAY,GAAsB;YACtC,EAAE,EAAE,IAAA,oBAAU,GAAE;YAChB,KAAK,EAAE,MAAM,CAAC,KAAK;YACnB,IAAI,EAAE,MAAM,CAAC,IAAI,IAAI,QAAQ;YAC7B,YAAY,EAAE,MAAM,CAAC,YAAY;YACjC,WAAW,EAAE,MAAM,CAAC,YAAY,CAAC,KAAK;SACvC,CAAC;QACF,YAAY,CAAC,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE;YAC7C,MAAM,SAAS,GAAQ;gBACrB,CAAC,EAAE,IAAI,CAAC,SAAS;gBACjB,GAAG,IAAI;aACR,CAAC;YACF,OAAO,SAAS,CAAC,SAAS,CAAC;YAC3B,OAAO,SAAsB,CAAC;QAChC,CAAC,CAAC,CAAC;QACH,YAAY,CAAC,EAAE,GAAG,MAAM,CAAC,KAAK,IAAI,EAAE,CAAC;QACrC,UAAU,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC;KAC/B;IACD,OAAO,UAAU,CAAC;AACpB,CAAC"}
+{"version":3,"file":"markSolventSignal.js","sourceRoot":"","sources":["../../src/ranges/markSolventSignal.ts"],"names":[],"mappings":";;;AAAA,uCAAgD;AAGhD,yEAAoE;AAEpE,0DAAuD;AACvD,oEAAiE;AAGjE,8CAAgD;AAQhD,SAAgB,gBAAgB,CAC9B,KAAU,EACV,cAA6B,EAC7B,UAAe,EAAE;IAEjB,MAAM,EAAE,SAAS,GAAG,GAAG,EAAE,GAAG,OAAO,CAAC;IACpC,MAAM,MAAM,GAAG,IAAA,iBAAM,EAAC,IAAA,kBAAU,EAAC,KAAK,CAAC,CAAsB,CAAC;IAE9D,IAAI,QAAQ,GAA4B,EAAE,CAAC;IAC3C,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE;QAC1B,MAAM,OAAO,GAAG,KAAK,CAAC,EAAE,CAAC;QACzB,KAAK,MAAM,MAAM,IAAI,KAAK,CAAC,OAAO,IAAI,EAAE,EAAE;YACxC,MAAM,QAAQ,GAAG,MAAM,CAAC,EAAE,CAAC;YAC3B,KAAK,IAAI,IAAI,IAAI,MAAM,CAAC,KAAK,IAAI,EAAE,EAAE;gBACnC,QAAQ,CAAC,IAAI,CAAC;oBACZ,GAAG,IAAI;oBACP,OAAO;oBACP,QAAQ;iBACT,CAAC,CAAC;aACJ;SACF;KACF;IAED,MAAM,KAAK,GAAG,IAAA,uCAAkB,EAAC,QAAQ,EAAE,cAAc,EAAE;QACzD,gBAAgB,EAAE,IAAI;KACvB,CAAC,CAAC;IAEH,MAAM,kBAAkB,GAAG,uBAAuB,CAAC,KAAK,CAAC,CAAC;IAC1D,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,IAAI,CAAC,KAAK,CAAC,OAAO;YAAE,SAAS;QAC7B,KAAK,IAAI,MAAM,IAAI,KAAK,CAAC,OAAO,EAAE;YAChC,IAAI,CAAC,kBAAkB,CAAC,QAAQ,CAAC,MAAM,CAAC,EAAE,CAAC;gBAAE,SAAS;YACtD,MAAM,WAAW,GAAG,EAAE,CAAC;YACvB,MAAM,kBAAkB,GAAG,EAAE,CAAC;YAC9B,KAAK,IAAI,IAAI,IAAI,KAAK,EAAE;gBACtB,IAAI,IAAI,CAAC,QAAQ,KAAK,MAAM,CAAC,EAAE,EAAE;oBAC/B,MAAM,EAAE,QAAQ,EAAE,OAAO,EAAE,GAAG,OAAO,EAAE,GAAG,IAAI,CAAC;oBAC/C,IAAI,IAAI,CAAC,IAAI,KAAK,SAAS,EAAE;wBAC3B,kBAAkB,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;qBAClC;yBAAM;wBACL,WAAW,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;qBAC3B;iBACF;aACF;YACD,MAAM,UAAU,GACd,WAAW,CAAC,MAAM,GAAG,CAAC;gBACpB,CAAC,CAAC,IAAA,6BAAa,EAAC,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,WAAW,EAAE;oBAC3C,YAAY,EAAE,MAAM;oBACpB,SAAS;iBACV,CAAC;gBACJ,CAAC,CAAC,EAAE,CAAC;YACT,kBAAkB,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;YAC7C,MAAM,WAAW,GAAG,kBAAkB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YAC5C,MAAM,YAAY,GAAG,kBAAkB,CAAC,kBAAkB,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;YACzE,MAAM,iBAAiB,GAAG,IAAA,6BAAa,EACrC,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,EAAE,EAAE,EAChB,kBAAkB,EAClB;gBACE,YAAY,EAAE,MAAM;gBACpB,gBAAgB,EAAE,CAAC,YAAY,GAAG,WAAW,CAAC,GAAG,SAAS;gBAC1D,SAAS;aACV,CACF,CAAC;YAEF,KAAK,CAAC,OAAO,GAAG;gBACd,GAAG,YAAY,CAAC,UAAU,CAAC;gBAC3B,GAAG,YAAY,CAAC,iBAAiB,CAAC;gBAClC,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,CAAC,CAAC,UAAU,EAAE,EAAE,CAAC,UAAU,CAAC,EAAE,KAAK,MAAM,CAAC,EAAE,CAAC;aACrE,CAAC;SACH;KACF;IACD,OAAO,MAAa,CAAC;AACvB,CAAC;AAxED,4CAwEC;AAED,SAAS,uBAAuB,CAAC,YAAqC;IACpE,MAAM,cAAc,GAAG,IAAI,GAAG,EAAE,CAAC;IACjC,KAAK,IAAI,IAAI,IAAI,YAAY,EAAE;QAC7B,IAAI,IAAI,CAAC,IAAI,KAAK,SAAS;YAAE,SAAS;QACtC,cAAc,CAAC,GAAG,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;KACnC;IACD,OAAO,KAAK,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;AACpC,CAAC;AAED,SAAS,YAAY,CAAC,OAAuB;IAC3C,MAAM,UAAU,GAAG,EAAE,CAAC;IACtB,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,MAAM,YAAY,GAAsB;YACtC,EAAE,EAAE,IAAA,SAAU,GAAE;YAChB,KAAK,EAAE,MAAM,CAAC,KAAK;YACnB,IAAI,EAAE,MAAM,CAAC,IAAI,IAAI,QAAQ;YAC7B,YAAY,EAAE,MAAM,CAAC,YAAY;YACjC,WAAW,EAAE,MAAM,CAAC,YAAY,CAAC,KAAK;SACvC,CAAC;QACF,YAAY,CAAC,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE;YAC7C,MAAM,SAAS,GAAQ;gBACrB,CAAC,EAAE,IAAI,CAAC,SAAS;gBACjB,GAAG,IAAI;aACR,CAAC;YACF,OAAO,SAAS,CAAC,SAAS,CAAC;YAC3B,OAAO,SAAsB,CAAC;QAChC,CAAC,CAAC,CAAC;QACH,YAAY,CAAC,EAAE,GAAG,MAAM,CAAC,KAAK,IAAI,EAAE,CAAC;QACrC,UAAU,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC;KAC/B;IACD,OAAO,UAAU,CAAC;AACpB,CAAC"}

package/lib/ranges/utils/joinRanges.js

@@ -1,12 +1,14 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.joinRanges = void 0;
+const uuid_1 = require("@lukeed/uuid");
 function joinRanges(ranges) {
     ranges.sort((a, b) => a.from - b.from);
     for (let i = 0; i < ranges.length - 1; i++) {
         const currentRange = ranges[i];
         const nextRange = ranges[i + 1];
         if (currentRange.to > nextRange.from) {
+            currentRange.id = (0, uuid_1.v4)();
             currentRange.to = Math.max(nextRange.to, currentRange.to);
             if (currentRange.signals && nextRange.signals) {
                 currentRange.signals = currentRange.signals.concat(nextRange.signals);

package/lib/ranges/utils/joinRanges.js.map

@@ -1 +1 @@
-{"version":3,"file":"joinRanges.js","sourceRoot":"","sources":["../../../src/ranges/utils/joinRanges.ts"],"names":[],"mappings":";;;AAEA,SAAgB,UAAU,CAAC,MAAkB;IAC3C,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,EAAE,EAAE;QAC1C,MAAM,YAAY,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;QAC/B,MAAM,SAAS,GAAG,MAAM,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAEhC,IAAI,YAAY,CAAC,EAAE,GAAG,SAAS,CAAC,IAAI,EAAE;YACpC,YAAY,CAAC,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,SAAS,CAAC,EAAE,EAAE,YAAY,CAAC,EAAE,CAAC,CAAC;YAC1D,IAAI,YAAY,CAAC,OAAO,IAAI,SAAS,CAAC,OAAO,EAAE;gBAC7C,YAAY,CAAC,OAAO,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC;aACvE;YACD,IAAI,YAAY,CAAC,WAAW,KAAK,SAAS,EAAE;gBAC1C,YAAY,CAAC,WAAW,IAAI,SAAS,CAAC,WAAW,IAAI,CAAC,CAAC;aACxD;YACD,MAAM,CAAC,MAAM,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;YACxB,CAAC,EAAE,CAAC;SACL;KACF;IAED,OAAO,MAAM,CAAC;AAChB,CAAC;AArBD,gCAqBC"}
+{"version":3,"file":"joinRanges.js","sourceRoot":"","sources":["../../../src/ranges/utils/joinRanges.ts"],"names":[],"mappings":";;;AAAA,uCAAgD;AAIhD,SAAgB,UAAU,CAAC,MAAkB;IAC3C,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,EAAE,EAAE;QAC1C,MAAM,YAAY,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;QAC/B,MAAM,SAAS,GAAG,MAAM,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAEhC,IAAI,YAAY,CAAC,EAAE,GAAG,SAAS,CAAC,IAAI,EAAE;YACpC,YAAY,CAAC,EAAE,GAAG,IAAA,SAAU,GAAE,CAAC;YAC/B,YAAY,CAAC,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,SAAS,CAAC,EAAE,EAAE,YAAY,CAAC,EAAE,CAAC,CAAC;YAC1D,IAAI,YAAY,CAAC,OAAO,IAAI,SAAS,CAAC,OAAO,EAAE;gBAC7C,YAAY,CAAC,OAAO,GAAG,YAAY,CAAC,OAAO,CAAC,MAAM,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC;aACvE;YACD,IAAI,YAAY,CAAC,WAAW,KAAK,SAAS,EAAE;gBAC1C,YAAY,CAAC,WAAW,IAAI,SAAS,CAAC,WAAW,IAAI,CAAC,CAAC;aACxD;YACD,MAAM,CAAC,MAAM,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;YACxB,CAAC,EAAE,CAAC;SACL;KACF;IAED,OAAO,MAAM,CAAC;AAChB,CAAC;AAtBD,gCAsBC"}

package/lib/signals/{jcoupling.js → Jcoupling.js}

@@ -1,3 +1,3 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-//# sourceMappingURL=jcoupling.js.map
+//# sourceMappingURL=Jcoupling.js.map

package/lib/signals/Jcoupling.js.map

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

package/lib/signals/NMRSignal1D.d.ts

@@ -1,5 +1,5 @@
 import type { NMRPeak1D } from '../peaks/NMRPeak1D';
-import type { Jcoupling } from './jcoupling';
+import type { Jcoupling } from './Jcoupling';
 export interface NMRSignal1D {
     delta: number;
     id?: string;

package/lib/signals/addDummySignals.js

@@ -4,9 +4,15 @@ exports.addDummySignals = void 0;
 const couplingPatterns_1 = require("../constants/couplingPatterns");
 function addDummySignals(signals) {
     let newSignals = JSON.parse(JSON.stringify(signals));
+    let nextAtomToAssign = signals.reduce((nextAtomToAssign, signal) => {
+        const { atoms = [] } = signal;
+        return Math.max(...atoms) > nextAtomToAssign
+            ? Math.max(...atoms)
+            : nextAtomToAssign;
+    }, 0) + 1;
     signals.forEach((signal, s) => {
-        const { js: jCouplings = [], atoms: signalAssignment = [s] } = signal;
-        let { newCouplings, tempSignals } = checkCouplings(jCouplings, newSignals, signalAssignment);
+        const { js: jCouplings = [], atoms: signalAssignment = [nextAtomToAssign++], } = signal;
+        let { newCouplings, tempSignals } = checkCouplings(jCouplings, newSignals, signalAssignment, nextAtomToAssign + signals.length);
         if (tempSignals.length > 0)
             newSignals.push(...tempSignals);
         newSignals[s].js = newCouplings;
@@ -15,8 +21,7 @@ function addDummySignals(signals) {
     return newSignals.sort((a, b) => a.delta - b.delta);
 }
 exports.addDummySignals = addDummySignals;
-function checkCouplings(jCouplings, signals, signalAssignment) {
-    let newSignalAssignment = signals.length - 1;
+function checkCouplings(jCouplings, signals, signalAssignment, nextAtomToAssign) {
     let tempSignals = [];
     const newCouplings = jCouplings.reduce((newCouplings, jCoupling) => {
         const { atoms = [], multiplicity, coupling } = jCoupling;
@@ -25,12 +30,12 @@ function checkCouplings(jCouplings, signals, signalAssignment) {
                 let tempCouplings = [];
                 const nbLinks = couplingPatterns_1.couplingPatterns.indexOf(multiplicity);
                 for (let i = 0; i < nbLinks; i++) {
-                    newSignalAssignment++;
+                    nextAtomToAssign++;
                     tempCouplings.push({
                         coupling,
-                        atoms: [newSignalAssignment],
+                        atoms: [nextAtomToAssign],
                     });
-                    tempSignals.push(formatSignal(coupling, [newSignalAssignment], signalAssignment));
+                    tempSignals.push(formatSignal(coupling, [nextAtomToAssign], signalAssignment));
                 }
             }
             else {

package/lib/signals/addDummySignals.js.map

@@ -1 +1 @@
-{"version":3,"file":"addDummySignals.js","sourceRoot":"","sources":["../../src/signals/addDummySignals.ts"],"names":[],"mappings":";;;AAAA,oEAAiE;AAKjE,SAAgB,eAAe,CAAC,OAAsB;IACpD,IAAI,UAAU,GAAkB,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC,CAAC;IAEpE,OAAO,CAAC,OAAO,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC5B,MAAM,EAAE,EAAE,EAAE,UAAU,GAAG,EAAE,EAAE,KAAK,EAAE,gBAAgB,GAAG,CAAC,CAAC,CAAC,EAAE,GAAG,MAAM,CAAC;QAEtE,IAAI,EAAE,YAAY,EAAE,WAAW,EAAE,GAAG,cAAc,CAChD,UAAU,EACV,UAAU,EACV,gBAAgB,CACjB,CAAC;QAEF,IAAI,WAAW,CAAC,MAAM,GAAG,CAAC;YAAE,UAAU,CAAC,IAAI,CAAC,GAAG,WAAW,CAAC,CAAC;QAE5D,UAAU,CAAC,CAAC,CAAC,CAAC,EAAE,GAAG,YAAY,CAAC;QAChC,UAAU,CAAC,CAAC,CAAC,CAAC,KAAK,GAAG,gBAAgB,CAAC;IACzC,CAAC,CAAC,CAAC;IAEH,OAAO,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC,CAAC;AACtD,CAAC;AAnBD,0CAmBC;AAED,SAAS,cAAc,CACrB,UAAuB,EACvB,OAAsB,EACtB,gBAA0B;IAE1B,IAAI,mBAAmB,GAAG,OAAO,CAAC,MAAM,GAAG,CAAC,CAAC;IAC7C,IAAI,WAAW,GAAkB,EAAE,CAAC;IACpC,MAAM,YAAY,GAAG,UAAU,CAAC,MAAM,CACpC,CAAC,YAAY,EAAE,SAAS,EAAE,EAAE;QAC1B,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,YAAY,EAAE,QAAQ,EAAE,GAAG,SAAS,CAAC;QACzD,IAAI,KAAK,CAAC,MAAM,KAAK,CAAC,EAAE;YACtB,IAAI,QAAQ,IAAI,YAAY,EAAE;gBAC5B,IAAI,aAAa,GAAgB,EAAE,CAAC;gBACpC,MAAM,OAAO,GAAG,mCAAgB,CAAC,OAAO,CAAC,YAAY,CAAC,CAAC;gBACvD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;oBAChC,mBAAmB,EAAE,CAAC;oBACtB,aAAa,CAAC,IAAI,CAAC;wBACjB,QAAQ;wBACR,KAAK,EAAE,CAAC,mBAAmB,CAAC;qBAC7B,CAAC,CAAC;oBACH,WAAW,CAAC,IAAI,CACd,YAAY,CAAC,QAAQ,EAAE,CAAC,mBAAmB,CAAC,EAAE,gBAAgB,CAAC,CAChE,CAAC;iBACH;aACF;iBAAM;gBACL,YAAY,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;aAC9B;SACF;QACD,OAAO,YAAY,CAAC;IACtB,CAAC,EACD,EAAE,CACH,CAAC;IACF,OAAO,EAAE,YAAY,EAAE,WAAW,EAAE,CAAC;AACvC,CAAC;AAED,SAAS,YAAY,CACnB,QAAgB,EAChB,mBAA6B,EAC7B,gBAA0B;IAE1B,OAAO;QACL,KAAK,EAAE,MAAM;QACb,KAAK,EAAE,mBAAmB;QAC1B,EAAE,EAAE;YACF;gBACE,QAAQ;gBACR,KAAK,EAAE,gBAAgB;aACxB;SACF;KACF,CAAC;AACJ,CAAC"}
+{"version":3,"file":"addDummySignals.js","sourceRoot":"","sources":["../../src/signals/addDummySignals.ts"],"names":[],"mappings":";;;AAAA,oEAAiE;AAKjE,SAAgB,eAAe,CAAC,OAAsB;IACpD,IAAI,UAAU,GAAkB,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC,CAAC;IAEpE,IAAI,gBAAgB,GAClB,OAAO,CAAC,MAAM,CAAC,CAAC,gBAAgB,EAAE,MAAM,EAAE,EAAE;QAC1C,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,GAAG,MAAM,CAAC;QAC9B,OAAO,IAAI,CAAC,GAAG,CAAC,GAAG,KAAK,CAAC,GAAG,gBAAgB;YAC1C,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,GAAG,KAAK,CAAC;YACpB,CAAC,CAAC,gBAAgB,CAAC;IACvB,CAAC,EAAE,CAAC,CAAC,GAAG,CAAC,CAAC;IACZ,OAAO,CAAC,OAAO,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC5B,MAAM,EACJ,EAAE,EAAE,UAAU,GAAG,EAAE,EACnB,KAAK,EAAE,gBAAgB,GAAG,CAAC,gBAAgB,EAAE,CAAC,GAC/C,GAAG,MAAM,CAAC;QACX,IAAI,EAAE,YAAY,EAAE,WAAW,EAAE,GAAG,cAAc,CAChD,UAAU,EACV,UAAU,EACV,gBAAgB,EAChB,gBAAgB,GAAG,OAAO,CAAC,MAAM,CAClC,CAAC;QAEF,IAAI,WAAW,CAAC,MAAM,GAAG,CAAC;YAAE,UAAU,CAAC,IAAI,CAAC,GAAG,WAAW,CAAC,CAAC;QAE5D,UAAU,CAAC,CAAC,CAAC,CAAC,EAAE,GAAG,YAAY,CAAC;QAChC,UAAU,CAAC,CAAC,CAAC,CAAC,KAAK,GAAG,gBAAgB,CAAC;IACzC,CAAC,CAAC,CAAC;IAEH,OAAO,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC,CAAC;AACtD,CAAC;AA7BD,0CA6BC;AAED,SAAS,cAAc,CACrB,UAAuB,EACvB,OAAsB,EACtB,gBAA0B,EAC1B,gBAAwB;IAExB,IAAI,WAAW,GAAkB,EAAE,CAAC;IACpC,MAAM,YAAY,GAAG,UAAU,CAAC,MAAM,CACpC,CAAC,YAAY,EAAE,SAAS,EAAE,EAAE;QAC1B,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,YAAY,EAAE,QAAQ,EAAE,GAAG,SAAS,CAAC;QACzD,IAAI,KAAK,CAAC,MAAM,KAAK,CAAC,EAAE;YACtB,IAAI,QAAQ,IAAI,YAAY,EAAE;gBAC5B,IAAI,aAAa,GAAgB,EAAE,CAAC;gBACpC,MAAM,OAAO,GAAG,mCAAgB,CAAC,OAAO,CAAC,YAAY,CAAC,CAAC;gBACvD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;oBAChC,gBAAgB,EAAE,CAAC;oBACnB,aAAa,CAAC,IAAI,CAAC;wBACjB,QAAQ;wBACR,KAAK,EAAE,CAAC,gBAAgB,CAAC;qBAC1B,CAAC,CAAC;oBACH,WAAW,CAAC,IAAI,CACd,YAAY,CAAC,QAAQ,EAAE,CAAC,gBAAgB,CAAC,EAAE,gBAAgB,CAAC,CAC7D,CAAC;iBACH;aACF;iBAAM;gBACL,YAAY,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;aAC9B;SACF;QACD,OAAO,YAAY,CAAC;IACtB,CAAC,EACD,EAAE,CACH,CAAC;IACF,OAAO,EAAE,YAAY,EAAE,WAAW,EAAE,CAAC;AACvC,CAAC;AAED,SAAS,YAAY,CACnB,QAAgB,EAChB,mBAA6B,EAC7B,gBAA0B;IAE1B,OAAO;QACL,KAAK,EAAE,MAAM;QACb,KAAK,EAAE,mBAAmB;QAC1B,EAAE,EAAE;YACF;gBACE,QAAQ;gBACR,KAAK,EAAE,gBAAgB;aACxB;SACF;KACF,CAAC;AACJ,CAAC"}

package/lib/signals/optimization/defaultParameters.d.ts

@@ -0,0 +1 @@
+export declare const defaultParameters: Record<string, Record<string, (...args: any) => number>>;

package/lib/signals/optimization/defaultParameters.js

@@ -0,0 +1,36 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.defaultParameters = void 0;
+exports.defaultParameters = {
+    delta: {
+        init: (data) => data.signal.delta,
+        min: (data) => data.signal.delta - data.shape.fwhm * 2,
+        max: (data) => data.signal.delta + data.shape.fwhm * 2,
+        gradientDifference: () => 2e-3,
+    },
+    intensity: {
+        init: (data) => data.signal.intensity || 1,
+        min: () => 0,
+        max: () => 1.5,
+        gradientDifference: () => 1e-3,
+    },
+    fwhm: {
+        init: (data) => data.shape.fwhm,
+        min: (data) => data.shape.fwhm * 0.25,
+        max: (data) => data.shape.fwhm * 4,
+        gradientDifference: (data) => data.shape.fwhm * 2e-3,
+    },
+    mu: {
+        init: (data) => data.shape.mu || 0.5,
+        min: () => 0,
+        max: () => 1,
+        gradientDifference: () => 0.01,
+    },
+    coupling: {
+        init: (data) => data.jCoupling.coupling,
+        min: (data) => data.jCoupling.coupling * 0.8,
+        max: (data) => data.jCoupling.coupling * 1.2,
+        gradientDifference: () => 0.01,
+    },
+};
+//# sourceMappingURL=defaultParameters.js.map

package/lib/signals/optimization/defaultParameters.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"defaultParameters.js","sourceRoot":"","sources":["../../../src/signals/optimization/defaultParameters.ts"],"names":[],"mappings":";;;AAOa,QAAA,iBAAiB,GAG1B;IACF,KAAK,EAAE;QACL,IAAI,EAAE,CAAC,IAAwB,EAAE,EAAE,CAAC,IAAI,CAAC,MAAM,CAAC,KAAK;QACrD,GAAG,EAAE,CAAC,IAAgD,EAAE,EAAE,CACxD,IAAI,CAAC,MAAM,CAAC,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,GAAG,CAAC;QACzC,GAAG,EAAE,CAAC,IAAgD,EAAE,EAAE,CACxD,IAAI,CAAC,MAAM,CAAC,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,GAAG,CAAC;QACzC,kBAAkB,EAAE,GAAG,EAAE,CAAC,IAAI;KAC/B;IACD,SAAS,EAAE;QACT,IAAI,EAAE,CAAC,IAAwB,EAAE,EAAE,CAAC,IAAI,CAAC,MAAM,CAAC,SAAS,IAAI,CAAC;QAC9D,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACZ,GAAG,EAAE,GAAG,EAAE,CAAC,GAAG;QACd,kBAAkB,EAAE,GAAG,EAAE,CAAC,IAAI;KAC/B;IACD,IAAI,EAAE;QACJ,IAAI,EAAE,CAAC,IAAgC,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI;QAC3D,GAAG,EAAE,CAAC,IAAgC,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,GAAG,IAAI;QACjE,GAAG,EAAE,CAAC,IAAgC,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,GAAG,CAAC;QAC9D,kBAAkB,EAAE,CAAC,IAAgC,EAAE,EAAE,CACvD,IAAI,CAAC,KAAK,CAAC,IAAI,GAAG,IAAI;KACzB;IACD,EAAE,EAAE;QACF,IAAI,EAAE,CAAC,IAAmC,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,IAAI,GAAG;QACnE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACZ,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACZ,kBAAkB,EAAE,GAAG,EAAE,CAAC,IAAI;KAC/B;IACD,QAAQ,EAAE;QACR,IAAI,EAAE,CAAC,IAA8B,EAAE,EAAE,CAAC,IAAI,CAAC,SAAS,CAAC,QAAQ;QACjE,GAAG,EAAE,CAAC,IAA8B,EAAE,EAAE,CAAC,IAAI,CAAC,SAAS,CAAC,QAAQ,GAAG,GAAG;QACtE,GAAG,EAAE,CAAC,IAA8B,EAAE,EAAE,CAAC,IAAI,CAAC,SAAS,CAAC,QAAQ,GAAG,GAAG;QACtE,kBAAkB,EAAE,GAAG,EAAE,CAAC,IAAI;KAC/B;CACF,CAAC"}

package/lib/signals/optimization/directOptimization.d.ts

@@ -0,0 +1,20 @@
+import { DataXY } from 'cheminfo-types';
+import { SumOfShapes } from './getSumOfShapes';
+interface DirectOptions {
+    iterations?: number;
+    epsilon?: number;
+    tolerance?: number;
+    tolerance2?: number;
+    initialState?: any;
+}
+interface DirectOptimizationOptions extends DirectOptions {
+    directOptions?: DirectOptions;
+    minValues: number[];
+    maxValues: number[];
+}
+export declare function directOptimization(data: DataXY, sumOfShapes: SumOfShapes, options: DirectOptimizationOptions): {
+    error: number;
+    iterations: number;
+    parameterValues: number[];
+};
+export {};

package/lib/signals/optimization/directOptimization.js

@@ -0,0 +1,33 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.directOptimization = void 0;
+const ml_direct_1 = __importDefault(require("ml-direct"));
+module.exports = { directOptimization };
+function directOptimization(data, sumOfShapes, options) {
+    const { minValues, maxValues, directOptions = {} } = options;
+    const objectiveFunction = getObjectiveFunction(data, sumOfShapes);
+    const result = (0, ml_direct_1.default)(objectiveFunction, minValues, maxValues, directOptions);
+    const { optima } = result;
+    return {
+        error: result.minFunctionValue,
+        iterations: result.iterations,
+        parameterValues: optima[0],
+    };
+}
+exports.directOptimization = directOptimization;
+function getObjectiveFunction(data, sumOfShapes) {
+    const { x, y } = data;
+    const nbPoints = x.length;
+    return (parameters) => {
+        const fct = sumOfShapes(parameters);
+        let error = 0;
+        for (let i = 0; i < nbPoints; i++) {
+            error += Math.pow(y[i] - fct(x[i]), 2);
+        }
+        return error;
+    };
+}
+//# sourceMappingURL=directOptimization.js.map

package/lib/signals/optimization/directOptimization.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"directOptimization.js","sourceRoot":"","sources":["../../../src/signals/optimization/directOptimization.ts"],"names":[],"mappings":";;;;;;AACA,0DAA+B;AAI/B,MAAM,CAAC,OAAO,GAAG,EAAE,kBAAkB,EAAE,CAAC;AAgBxC,SAAgB,kBAAkB,CAChC,IAAY,EACZ,WAAwB,EACxB,OAAkC;IAElC,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,aAAa,GAAG,EAAE,EAAE,GAAG,OAAO,CAAC;IAC7D,MAAM,iBAAiB,GAAG,oBAAoB,CAAC,IAAI,EAAE,WAAW,CAAC,CAAC;IAClE,MAAM,MAAM,GAAG,IAAA,mBAAM,EAAC,iBAAiB,EAAE,SAAS,EAAE,SAAS,EAAE,aAAa,CAAC,CAAC;IAE9E,MAAM,EAAE,MAAM,EAAE,GAAG,MAAM,CAAC;IAE1B,OAAO;QACL,KAAK,EAAE,MAAM,CAAC,gBAAgB;QAC9B,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,eAAe,EAAE,MAAM,CAAC,CAAC,CAAC;KAC3B,CAAC;AACJ,CAAC;AAhBD,gDAgBC;AAED,SAAS,oBAAoB,CAAC,IAAY,EAAE,WAAwB;IAClE,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,GAAG,IAAI,CAAC;IACtB,MAAM,QAAQ,GAAG,CAAC,CAAC,MAAM,CAAC;IAC1B,OAAO,CAAC,UAAoB,EAAE,EAAE;QAC9B,MAAM,GAAG,GAAG,WAAW,CAAC,UAAU,CAAC,CAAC;QACpC,IAAI,KAAK,GAAG,CAAC,CAAC;QACd,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;YACjC,KAAK,IAAI,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;SACxC;QACD,OAAO,KAAK,CAAC;IACf,CAAC,CAAC;AACJ,CAAC"}

package/lib/signals/optimization/getInternalSignals.d.ts

@@ -0,0 +1,54 @@
+import { DataXY } from 'cheminfo-types';
+import { Shape1D, Shape1DInstance } from 'ml-peak-shape-generator';
+import { MakeMandatory } from '../../utilities/MakeMandatory';
+import { Jcoupling } from '../Jcoupling';
+import { Signal } from '../optimizeSignals';
+export interface InternalSignal {
+    shape: Shape1D;
+    shapeFct: Shape1DInstance;
+    signal: MakeMandatory<Signal, 'js' | 'intensity'>;
+    parameters: string[];
+    propertiesValues: Record<string, number[]>;
+    fromIndex: number;
+    toIndex: number;
+    fromIndexCoupling: number;
+    toIndexCoupling: number;
+}
+export declare type Parameter = 'delta' | 'intensity' | 'fwhm' | 'mu' | 'coupling';
+export declare type ParametersFromOptions = Record<Parameter, Record<string, number | ((options?: {
+    signal?: Signal;
+    shape?: Shape1D;
+    index?: number;
+    jCoupling?: Jcoupling;
+}) => number)>>;
+export interface GetInternalSignalsOptions {
+    /**
+     * Initial line width in Hz
+     * @default 1
+     */
+    lineWidth?: number;
+    /**
+     * frequency
+     */
+    frequency: number;
+    baseline?: number;
+    shape?: Shape1D;
+    parameters?: ParametersFromOptions;
+}
+export declare type Shape1DWithFWHM = Omit<Shape1D, 'fwhm'> & {
+    fwhm: number;
+};
+export declare function getInternalSignals(data: DataXY, signals: Signal[], minMaxY: Record<string, number>, options: GetInternalSignalsOptions): {
+    shape: Shape1DWithFWHM;
+    shapeFct: Shape1DInstance;
+    signal: Signal & {
+        js: Jcoupling[];
+        intensity: number;
+    };
+    parameters: Parameter[];
+    propertiesValues: Record<string, number[]>;
+    fromIndex: number;
+    toIndex: number;
+    fromIndexCoupling: number;
+    toIndexCoupling: number;
+}[];