nmr-processing 12.8.2 → 12.9.0

package/nmr-processing.d.ts

@@ -13,6 +13,7 @@ import { Logger } from 'cheminfo-types';
 import { Matrix } from 'ml-matrix';
 import * as matrixPeakFinders from 'ml-matrix-peaks-finder';
 import { Molecule } from 'openchemlib/full';
+import type { Molecule as Molecule_2 } from 'openchemlib/minimal';
 import { NmrData1D } from 'cheminfo-types';
 import { NmrData2D } from 'cheminfo-types';
 import { NmrData2DContent } from 'cheminfo-types';
@@ -263,6 +264,16 @@ export declare interface CreateSignals2DOptions {
     maxX: number;
 }
 
+export declare function ctParser(sdf: string, csv: string, options: {
+    OCL: {
+        Molecule: typeof Molecule_2;
+    };
+}): {
+    molecules: ParsedMolecule[];
+    sections: Record<string, any>;
+    groups: any[];
+};
+
 export declare type DataBaseLevelStructure = Record<string, [
 number,
 number,
@@ -2843,6 +2854,16 @@ declare type ParametersFromOptions = Record<Parameter, Record<string, number | (
 
 declare type ParametersFromSignal = Record<string, Record<string, number>>;
 
+declare interface ParsedMolecule {
+    atomsMapping: Array<{
+        atom: number;
+        label: string;
+    }>;
+    atomsMappingLookup: Record<string, number>;
+    molfile: string;
+    id: string;
+}
+
 export declare interface Peak1D extends Omit<NMRPeak1D, 'id'>, BasePeak {
     originalX?: number;
 }