nmr-processing 21.2.3 → 22.0.0

package/dist/nmr-processing.d.ts

@@ -39,7 +39,7 @@ import type { FordwardLPDimension1Options } from '@zakodium/nmr-types';
 import type { FordwardLPDimension2Options } from '@zakodium/nmr-types';
 import type { ForwardLP1DOptions } from '@zakodium/nmr-types';
 import type { ForwardLPOptions } from '@zakodium/nmr-types';
-import { FromTo } from 'cheminfo-types';
+import type { FromTo } from 'cheminfo-types';
 import type { GaussianOptions } from '@zakodium/nmr-types';
 import type { GenerateSpectrumOptions } from 'spectrum-generator';
 import type { GroupedDiaID } from 'openchemlib-utils';
@@ -73,6 +73,7 @@ import type { OptimizePeaksOptions } from 'ml-gsd';
 import type { OptionsSG1D } from 'spectrum-generator';
 import type { Peak1D } from '@zakodium/nmr-types';
 import type { Peak2D } from 'ml-matrix-peaks-finder';
+import type { Peak2D as Peak2D_2 } from '@zakodium/nmr-types';
 import type { Peaks } from '@zakodium/nmr-types';
 import type { PeakXYWidth } from 'cheminfo-types';
 import type { PhaseCorrection1DFilterOptions } from '@zakodium/nmr-types';
@@ -89,7 +90,8 @@ import type { Shift2DXFilterOptions } from '@zakodium/nmr-types';
 import type { Shift2DYFilterOptions } from '@zakodium/nmr-types';
 import type { ShiftXFilterOptions } from '@zakodium/nmr-types';
 import type { ShiftXOptions } from '@zakodium/nmr-types';
-import { SignalKind } from '@zakodium/nmr-types';
+import type { Signal2D } from '@zakodium/nmr-types';
+import type { SignalKind } from '@zakodium/nmr-types';
 import type { SignalProcessingFilter } from '@zakodium/nmr-types';
 import type { SineBellOptions } from '@zakodium/nmr-types';
 import type { SymmetrizeCosyLikeOptions } from '@zakodium/nmr-types';
@@ -1095,60 +1097,7 @@ export declare function mapPeaks(peaks: Peak1D[], spectrum: Entry1D, options?: M
 
 export declare function mapRanges(ranges: Range_2[] | NMRRange[], spectrum: Entry1D, options?: MapOptions): Range_2[];
 
-export declare function mapZones(zones: Zone[], datum: Entry2D, options?: MapOptions): {
-    signals: {
-        peaks: {
-            id: string;
-            x: number;
-            y: number;
-            z: number;
-            originalX?: number;
-            originalY?: number;
-            originalZ?: number;
-            width?: number | {
-                x: number;
-                y: number;
-            };
-        }[] | undefined;
-        id: string;
-        kind: SignalKind;
-        x: {
-            originalDelta: number;
-            delta: number;
-            nbAtoms?: number;
-            diaIDs?: string[];
-        };
-        y: {
-            originalDelta: number;
-            delta: number;
-            nbAtoms?: number;
-            diaIDs?: string[];
-        };
-        sign?: number;
-        j?: {
-            pathLength?: number | FromTo;
-        };
-    }[];
-    kind: SignalKind;
-    x: {
-        from: number;
-        to: number;
-        nbAtoms?: number;
-        diaIDs?: string[];
-        originalFrom?: number;
-        originalTo?: number;
-    };
-    y: {
-        from: number;
-        to: number;
-        nbAtoms?: number;
-        diaIDs?: string[];
-        originalFrom?: number;
-        originalTo?: number;
-    };
-    id: string;
-    assignment?: string;
-}[];
+export declare function mapZones(zones: readonly ZoneForMapping[], datum: Entry2D, options?: MapOptions): Zone[];
 
 export declare function markSolventPeaks<T extends NMRRange>(input: T[], solventSignals: NMRSignal1D[], options?: MarkSolventPeaksOptions): T[];
 
@@ -2186,6 +2135,17 @@ export declare interface Signal2DProjection {
     diaIDs?: string[];
 }
 
+declare type SignalAxisForMapping = Omit<Signal2D['x'], 'originalDelta'> & {
+    originalDelta?: number;
+};
+
+declare type SignalForMapping = Pick<Signal2D, 'kind'> & {
+    id?: string;
+    x: SignalAxisForMapping;
+    y: SignalAxisForMapping;
+    peaks?: SignalPeakForMapping[];
+};
+
 /**
  * Join couplings smaller than a defined tolerance.
  * The resulting coupling should be an average of the existing one.
@@ -2227,6 +2187,10 @@ export declare function signalMultiplicityPattern(signal: NMRSignal1D, options?:
     acsFormat?: boolean;
 }): string;
 
+declare type SignalPeakForMapping = Omit<Peak2D_2, 'id'> & {
+    id?: string;
+};
+
 declare type SignalProcessing = FilterFactory<Entry1D, MatrixOptions<FilterOptions>> & Pick<SignalProcessingFilter, 'name'>;
 
 export declare function signals2DToZ(signals: NMRSignal2D[], options?: Signals2DToZOptions): {
@@ -2832,6 +2796,10 @@ export declare interface Zone2DError {
     y: number;
 }
 
+declare type ZoneForMapping = Pick<Zone, 'id' | 'kind' | 'x' | 'y'> & {
+    signals: SignalForMapping[];
+};
+
 
 export * from "gyromagnetic-ratio";