@zakodium/nmrium-core 0.7.0 → 0.7.1

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.
@@ -197,24 +197,11 @@ export declare interface ContourItem {
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  numberOfLayers: number;
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  }
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- export declare interface ContourOptions {
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+ export declare interface ContourLevel {
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  positive: ContourItem;
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  negative: ContourItem;
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  }
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- declare interface ContourOptions_2 {
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- positive: {
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- contourLevels: [number, number];
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- numberOfLayers: number;
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- };
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- negative: {
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- contourLevels: [number, number];
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- numberOfLayers: number;
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- };
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- }
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-
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- export declare type ContoursLevels = Record<string, Level>;
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-
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  export declare interface CoreReadReturn {
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  /**
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  * Common state representation between NMRium component and NMRium apps
@@ -237,7 +224,7 @@ export declare interface CoreReadReturn {
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  containsNmrium: boolean;
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  }
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- export declare const CURRENT_EXPORT_VERSION: 13;
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+ export declare const CURRENT_EXPORT_VERSION: 14;
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  export declare type CustomWorkspaces = Record<string, InnerWorkspace>;
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@@ -311,7 +298,6 @@ export declare interface Display1D extends Display {
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  export declare interface Display2D extends Color2D, Display {
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  isPositiveVisible: boolean;
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  isNegativeVisible: boolean;
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- contourOptions: ContourOptions_2;
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  }
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  declare interface DisplayPreferences {
@@ -459,11 +445,6 @@ export declare type Layout = 'portrait' | 'landscape';
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  export declare type LegendField = JpathLegendField | PredefinedLegendField;
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- export declare interface Level {
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- positive: ContourItem;
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- negative: ContourItem;
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- }
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-
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  declare interface LoadersPreferences {
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  general: GeneralLoadersSelector;
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  bruker: BrukerLoaderSelector;
@@ -526,7 +507,7 @@ export declare interface MultipleSpectraAnalysisPreferences {
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  export declare class NMRiumCore {
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  #private;
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- readonly version: 13;
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+ readonly version: 14;
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  registerPlugin(plugin: NMRiumPlugin): void;
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  registerPlugins(plugins: NMRiumPlugin[]): void;
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  private getPlugin;
@@ -1206,6 +1187,8 @@ export declare interface SpectraColors {
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  indicatorLineColor: string;
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  }
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+ export declare type SpectraContourLevels = Record<string, ContourLevel>;
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+
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  declare type SpectraPredictionOptions = Record<Experiment, boolean>;
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  export declare interface SpectraPreferences {
@@ -1415,9 +1398,7 @@ export declare interface ViewState {
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  */
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  showSimilarityTree: boolean;
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  };
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- zoom: {
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- levels: ContoursLevels;
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- };
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+ spectraContourLevels: SpectraContourLevels;
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  /**
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  * options to control spectra vertical alignment
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  * @default 'bottom'
@@ -1435,8 +1416,8 @@ export declare interface ViewState {
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  export declare interface WheelOptions {
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  shiftKey: boolean;
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- contourOptions: ContourOptions;
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- currentLevel: Level;
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+ contourLevel: ContourLevel;
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+ currentContourLevel: ContourLevel;
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  }
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  export declare type Workspace = WorkspaceMeta & Required<WorkspacePreferences>;
@@ -1,6 +1,6 @@
1
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1
+ var we={NORMAL:"NORMAL",FORMULA:"FORMULA"};var Ae={RELATIVE:"relative",ABSOLUTE:"absolute",MIN:"min",MAX:"max"};var Fe=[{name:"pixels",unit:"px"},{name:"inches",unit:"in"},{name:"feet",unit:"ft"},{name:"yards",unit:"yd"},{name:"centimeters",unit:"cm"},{name:"millimeters",unit:"mm"},{name:"meters",unit:"m"},{name:"points",unit:"pt"},{name:"picas",unit:"pc"}];var b=14;var Te=[{key:"CT",description:"CT from NMR Solutions"}];import{isAnyArray as Le}from"is-any-array";import{xMultiply as B}from"ml-spectra-processing";var Ee=crypto.randomUUID.bind(crypto),x=Ee;function O(e){let{id:t=x(),meta:o,peaks:r={},filters:i=[],info:n={},ranges:c={},integrals:s={},selector:l,sourceId:a,dependentVariables:p=[],...m}=e,u={id:t,meta:o,filters:i},{data:f=ze(p[0]?.components??[])}=e;if(Array.isArray(n.nucleus)&&(n.nucleus=n.nucleus[0]),u.data={x:[],re:[],im:[],...f},"scaleFactor"in 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Promise.allSettled(d),{state:l,aggregator:c,containsNmrium:!0}}function xt(e){let t=new Map;return{get(o){let r=t.get(o);return r||(r=e.subroot(o),t.set(o,r)),r},[Symbol("debug")]:{ium:e,views:t}}}async function ht(e){let{subRoots:t}=e,{unserializedSpectrum:o,spectraResult:r}=e,{options:i,plugins:n,migrator:c}=e,{selector:s}=o,l=await be({subRoots:t,selector:s});if(!l)return k({spectrum:o,spectraResult:r,logger:i?.logger});await z({input:l,unserializedSpectrum:o,spectraResult:r,options:i,plugins:n,migrator:c})}async function Nt(e){let{subRoots:t}=e,{unserializedMolecule:o,moleculesResult:r}=e,{options:i,plugins:n,migrator:c}=e,{selector:s}=o,l=await be({subRoots:t,selector:s});if(!l)return V({molecule:o,moleculesResult:r,logger:i?.logger});await U({input:l,unserializedMolecule:o,moleculesResult:r,options:i,plugins:n,migrator:c})}async function be(e){let{subRoots:t,selector:o}=e;if(!o)return;let{root:r}=o;if(r)return t.get(r)}import{FileCollection as Re}from"file-collection";async function Oe(e){let{source:t,plugins:o,options:r={}}=e,{converter:i,...n}=r,{selectorRoot:c=x()}=r,s={...t,id:c},l={spectra:[],molecules:[]},a=await Re.fromSource(s,{unzip:{zipExtensions:["zip","nmredata"]}}),{spectra:p=[],molecules:m=[]}=await L(a,o,{converter:{...i,bruker:{keepFiles:!0,...Reflect.get(i??{},"bruker")}},...n});l.spectra.push(...p),l.molecules.push(...m);for(let S of l.spectra)S.selector??={root:c},S.selector.root=c;for(let S of l.molecules)S.selector??={root:c},S.selector.root=c;l.sources??=[],l.sources.push(s);let u=T({version:13,data:l},r?.selector?.general),{onLoadProcessing:f}=n,d={filters:f?.filters,autoProcessing:f?.autoProcessing??!1,experimentalFeatures:r.experimentalFeatures};E({nmriumState:u,plugins:o,options:d});let g=new Re().appendFileCollection(a,c);return{state:u,aggregator:g,containsNmrium:!1}}function v(e,t){let o={};for(let r in e)t.includes(r)||(o[r]=e[r]);return o}var bt=["data","originalData","info","originalInfo","meta","customInfo"],Rt=["data","originalData","info","originalInfo","meta","customInfo"],Ot=["selector","originalData","originalInfo"];function Ie(e,t,o={}){let{version:r,data:i}=e;if(i.actionType)return e;let n={version:r,plugins:e.plugins},{includeData:c,forceRawSpectra:s=[]}=o;c!=="noData"&&(n.data=It({...i},c,s));let{includeSettings:l,includeView:a}=o;return l&&(n.settings=e.settings),a&&(n.view=e.view),I(n,t),n}function It(e,t="rawData",o){let{spectra:r}=e;switch(t){case"dataSource":return Dt(e);case"selfContained":case"selfContainedExternalDatasource":return vt(e,o);case"rawData":return{...v(e,["sources"]),spectra:r.map(De)};default:return e}}function Dt(e){let{spectra:t}=e;if(!e.sources)throw new Error("sources property should exists for dataSource serialization");return{...e,spectra:t.map(Mt)}}function vt(e,t){let{spectra:o,sources:r,...i}=e;return{...i,spectra:o.map(n=>Ct(n,t))}}function Mt(e){return v(e,bt)}function Ct(e,t){return!("selector"in e)||t?.includes(e.id)?De(e):v(e,Rt)}function De(e){let{data:t,info:o,originalData:r,originalInfo:i}=e,n=v(e,Ot);return n.data=r||t,n.info=i||o,n}import{FileCollection as At}from"file-collection";async function ve(e,t){let{state:o,aggregator:r,externalData:i="embedded",includeData:n=!0,includeSettings:c,includeView:s}=t,{spectra:l,molecules:a}=o.data,p=new At({filter:{ignoreDotfiles:!1}});return n&&p.appendFileCollection(r),p.toIum({includeData:i==="embedded",mimetype:"chemical/x-nmrium+zip",*getExtraFiles(m){yield{relativePath:"META-INF/NMRIUM_ARCHIVE",data:""},yield{relativePath:"META-INF/VERSION",data:"1"},yield{relativePath:"state.json",data:wt(e,o,r,{externalData:i,includeData:n,includeView:s,includeSettings:c})},yield{relativePath:"index.txt",data:Ft({aggregator:r,spectra:l,molecules:a,index:m})}}})}function 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e.version!="number"||Number.isNaN(e.version))throw new Error("Not a valid NMRium archive, no version specified");if(e.version===0)throw new Error("NMRium Archive generated behind experimental flag are not supported.");if(!e.state)throw new Error("NMRium Archive corrupted, state.json is missing")}function be(e){return e.filter(t=>!Pt(t.relativePath))}function Pt(e){return e.startsWith("META-INF/")||e==="state.json"||e==="index.txt"}async function Ne(e){let{options:t,plugins:o,migrator:r}=e,i=await xt.fromIum(e.input),n=await xe(i);he(n);let c=be(i),s=r(n.state),l={...s,data:{...s.data,spectra:[],molecules:[]}},a=l.data.spectra,p=l.data.molecules,m=s.data?.spectra??[],u=s.data?.molecules??[],f=ht(i),d=[];for(let g of m)d.push(bt({subRoots:f,unserializedSpectrum:g,spectraResult:a,options:t,plugins:o,migrator:r}));for(let g of u)d.push(Nt({subRoots:f,unserializedMolecule:g,moleculesResult:p,options:t,plugins:o,migrator:r}));return await Promise.allSettled(d),{state:l,aggregator:c,containsNmrium:!0}}function ht(e){let t=new Map;return{get(o){let r=t.get(o);return r||(r=e.subroot(o),t.set(o,r)),r},[Symbol("debug")]:{ium:e,views:t}}}async function bt(e){let{subRoots:t}=e,{unserializedSpectrum:o,spectraResult:r}=e,{options:i,plugins:n,migrator:c}=e,{selector:s}=o,l=await Re({subRoots:t,selector:s});if(!l)return k({spectrum:o,spectraResult:r,logger:i?.logger});await z({input:l,unserializedSpectrum:o,spectraResult:r,options:i,plugins:n,migrator:c})}async function Nt(e){let{subRoots:t}=e,{unserializedMolecule:o,moleculesResult:r}=e,{options:i,plugins:n,migrator:c}=e,{selector:s}=o,l=await Re({subRoots:t,selector:s});if(!l)return V({molecule:o,moleculesResult:r,logger:i?.logger});await U({input:l,unserializedMolecule:o,moleculesResult:r,options:i,plugins:n,migrator:c})}async function Re(e){let{subRoots:t,selector:o}=e;if(!o)return;let{root:r}=o;if(r)return t.get(r)}import{FileCollection as Oe}from"file-collection";async function Ie(e){let{source:t,plugins:o,options:r={}}=e,{converter:i,...n}=r,{selectorRoot:c=x()}=r,s={...t,id:c},l={spectra:[],molecules:[]},a=await Oe.fromSource(s,{unzip:{zipExtensions:["zip","nmredata"]}}),{spectra:p=[],molecules:m=[]}=await L(a,o,{converter:{...i,bruker:{keepFiles:!0,...Reflect.get(i??{},"bruker")}},...n});l.spectra.push(...p),l.molecules.push(...m);for(let S of l.spectra)S.selector??={root:c},S.selector.root=c;for(let S of l.molecules)S.selector??={root:c},S.selector.root=c;l.sources??=[],l.sources.push(s);let u=T({version:14,data:l},r?.selector?.general),{onLoadProcessing:f}=n,d={filters:f?.filters,autoProcessing:f?.autoProcessing??!1,experimentalFeatures:r.experimentalFeatures};E({nmriumState:u,plugins:o,options:d});let g=new Oe().appendFileCollection(a,c);return{state:u,aggregator:g,containsNmrium:!1}}function D(e,t){let o={};for(let r in e)t.includes(r)||(o[r]=e[r]);return o}var Rt=["data","originalData","info","originalInfo","meta","customInfo"],Ot=["data","originalData","info","originalInfo","meta","customInfo"],It=["selector","originalData","originalInfo"];function ve(e,t,o={}){let{version:r,data:i}=e;if(i.actionType)return e;let n={version:r,plugins:e.plugins},{includeData:c,forceRawSpectra:s=[]}=o;c!=="noData"&&(n.data=vt({...i},c,s));let{includeSettings:l,includeView:a}=o;return l&&(n.settings=e.settings),a&&(n.view=e.view),I(n,t),n}function vt(e,t="rawData",o){let{spectra:r}=e;switch(t){case"dataSource":return Dt(e);case"selfContained":case"selfContainedExternalDatasource":return Mt(e,o);case"rawData":return{...D(e,["sources"]),spectra:r.map(De)};default:return e}}function Dt(e){let{spectra:t}=e;if(!e.sources)throw new Error("sources property should exists for dataSource serialization");return{...e,spectra:t.map(Ct)}}function Mt(e,t){let{spectra:o,sources:r,...i}=e;return{...i,spectra:o.map(n=>wt(n,t))}}function Ct(e){return D(e,Rt)}function wt(e,t){return!("selector"in e)||t?.includes(e.id)?De(e):D(e,Ot)}function De(e){let{data:t,info:o,originalData:r,originalInfo:i}=e,n=D(e,It);return n.data=r||t,n.info=i||o,n}import{FileCollection as At}from"file-collection";async function Me(e,t){let{state:o,aggregator:r,externalData:i="embedded",includeData:n=!0,includeSettings:c,includeView:s}=t,{spectra:l,molecules:a}=o.data,p=new At({filter:{ignoreDotfiles:!1}});return n&&p.appendFileCollection(r),p.toIum({includeData:i==="embedded",mimetype:"chemical/x-nmrium+zip",*getExtraFiles(m){yield{relativePath:"META-INF/NMRIUM_ARCHIVE",data:""},yield{relativePath:"META-INF/VERSION",data:"1"},yield{relativePath:"state.json",data:Ft(e,o,r,{externalData:i,includeData:n,includeView:s,includeSettings:c})},yield{relativePath:"index.txt",data:Tt({aggregator:r,spectra:l,molecules:a,index:m})}}})}function Ft(e,t,o,r){let{includeData:i,includeView:n,includeSettings:c,externalData:s="embedded"}=r,l="noData";i&&(l=s==="embedded"?"selfContained":"selfContainedExternalDatasource");let a=[];if(l!=="noData")for(let u of t.data?.spectra??[]){let f=u.selector?.root;f&&o.subroot(f).files.length>0||a.push(u.id)}let p=e(t,{includeData:l,includeView:n,includeSettings:c,forceRawSpectra:a}),m=JSON.stringify(p,(u,f)=>ArrayBuffer.isView(f)?Array.from(f):f,2);return new Blob([m],{type:"application/json"})}function Tt(e){let{aggregator:t,spectra:o,molecules:r,index:i}=e,n=new Map,c=new Map(i.sources.map(l=>[l.uuid,l]));for(let l of o){let a=l.selector?.root;a&&(n.has(a)||n.set(a,t.subroot(a)))}for(let l of r){let a=l.selector?.root;a&&(n.has(a)||n.set(a,t.subroot(a)))}let s=[];for(let[l,a]of n.entries()){let p=new Map(a.sources.map(u=>[u.uuid,u])),m=`data/${l}/`;s.push(m);for(let u of a.files){let f=c.get(u.sourceUUID),d=p.get(u.sourceUUID),g=f?.baseURL?.startsWith("ium:/")?"embedded":"linked",y=i.paths[u.sourceUUID]?.replace(m,""),P=u.relativePath.replace(d?.relativePath??"",""),h=y?y+P:u.relativePath;s.push(` ${h} (${g})`)}s.push(`
5
5
  `)}return s.join(`
6
- `)}var ne=class{version=13;#e=new Map;registerPlugin(t){if(this.#e.has(t.id)){console.warn(`Plugin ${t.id} is already registered. skip.`),console.debug("Plugin already registered:",this.#e.get(t.id)),console.debug("Plugin to register:",t);return}this.#e.set(t.id,t)}registerPlugins(t){for(let o of t)this.registerPlugin(o)}getPlugin(t){return this.#e.get(t)}migrate(t){return ue(t,this.version,this.#e)}read(t,o={},r){return D({input:t,options:o,fromSourceOptions:r,migrator:this.migrate.bind(this),plugins:this.#e})}readNMRiumArchive(t,o={}){return Ne({input:t,options:o,plugins:this.#e,migrator:this.migrate.bind(this)})}readNMRiumObject(t,o,r){return j({nmriumObjectInput:t,options:o,fromSourceOptions:r,plugins:this.#e,migrator:this.migrate.bind(this)})}readNMRiumFile(t,o={},r){return _({file:t,options:o,fromSourceOptions:r,plugins:this.#e,migrator:this.migrate.bind(this)})}readFromWebSource(t,o){return Oe({source:t,options:o,plugins:this.#e})}serializeNmriumState(t,o){return Ie(t,this.#e,o)}serializeNmriumArchive(t){let o=this.serializeNmriumState.bind(this);return ve(o,t)}serializePlugins(){let t={plugins:{}};return I(t,this.#e),t.plugins}slot(t){return pe({slot:t,plugins:this.#e})}};function Tt(e,t){if(t>13)return 0;let o=-1;for(let r=0;r<e.length;r++)if(e[r].version>t){o=r;break}return o}var Me=[{version:6,fun:C},{version:7,fun:A}];function Et(e){let{version:t}=e||{},o=Tt(Me,t);if(o===-1)return{...e,version:13};let r=Me.slice(o);for(let i of r)e=i.fun(e);return e}export{Ce as ANALYSIS_COLUMN_TYPES,Ae as ANALYSIS_COLUMN_VALUES_KEYS,N as CURRENT_EXPORT_VERSION,Fe as EXTERNAL_API_KEYS,ne as NMRiumCore,Ge as defineNMRiumPlugin,$e as formatSpectra,x as generateID,W as getOneIfArray,Et as migrateSettings,we as units};
6
+ `)}var se=class{version=14;#e=new Map;registerPlugin(t){if(this.#e.has(t.id)){console.warn(`Plugin ${t.id} is already registered. skip.`),console.debug("Plugin already registered:",this.#e.get(t.id)),console.debug("Plugin to register:",t);return}this.#e.set(t.id,t)}registerPlugins(t){for(let o of t)this.registerPlugin(o)}getPlugin(t){return this.#e.get(t)}migrate(t){return pe(t,this.version,this.#e)}read(t,o={},r){return v({input:t,options:o,fromSourceOptions:r,migrator:this.migrate.bind(this),plugins:this.#e})}readNMRiumArchive(t,o={}){return Ne({input:t,options:o,plugins:this.#e,migrator:this.migrate.bind(this)})}readNMRiumObject(t,o,r){return j({nmriumObjectInput:t,options:o,fromSourceOptions:r,plugins:this.#e,migrator:this.migrate.bind(this)})}readNMRiumFile(t,o={},r){return _({file:t,options:o,fromSourceOptions:r,plugins:this.#e,migrator:this.migrate.bind(this)})}readFromWebSource(t,o){return Ie({source:t,options:o,plugins:this.#e})}serializeNmriumState(t,o){return ve(t,this.#e,o)}serializeNmriumArchive(t){let o=this.serializeNmriumState.bind(this);return Me(o,t)}serializePlugins(){let t={plugins:{}};return I(t,this.#e),t.plugins}slot(t){return me({slot:t,plugins:this.#e})}};function Et(e,t){if(t>14)return 0;let o=-1;for(let r=0;r<e.length;r++)if(e[r].version>t){o=r;break}return o}var Ce=[{version:6,fun:C},{version:7,fun:w}];function Lt(e){let{version:t}=e||{},o=Et(Ce,t);if(o===-1)return{...e,version:14};let r=Ce.slice(o);for(let i of r)e=i.fun(e);return e}export{we as ANALYSIS_COLUMN_TYPES,Ae as ANALYSIS_COLUMN_VALUES_KEYS,b as CURRENT_EXPORT_VERSION,Te as EXTERNAL_API_KEYS,se as NMRiumCore,Je as defineNMRiumPlugin,Ge as formatSpectra,x as generateID,W as getOneIfArray,Lt as migrateSettings,Fe as units};
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "@zakodium/nmrium-core",
3
- "version": "0.7.0",
3
+ "version": "0.7.1",
4
4
  "description": "The core of NMRium: types, state, state migration and plugin system.",
5
5
  "author": "Zakodium Sàrl",
6
6
  "license": "CC-BY-NC-SA-4.0",
@@ -47,5 +47,5 @@
47
47
  "volta": {
48
48
  "extends": "../../../package.json"
49
49
  },
50
- "gitHead": "091cf59cbdda51c296d7442f9e84237ad94d0672"
50
+ "gitHead": "176a331e9d92d157e0f7cbdc11bf37c7f334c4dd"
51
51
  }