@zakodium/nmrium-core 0.6.2 → 0.6.3
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/nmrium-core.d.ts +5 -1
- package/dist/nmrium-core.js +3 -3
- package/package.json +4 -3
package/dist/nmrium-core.d.ts
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@@ -395,6 +395,8 @@ export declare interface InfoBlockField extends JpathTableColumn {
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format: string;
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}
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export declare function injectDeprecatedUiToSupportedUiSlots(dts: Record<string, string>, std: Record<string, string[]>): void;
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export declare type InnerWorkspace = WorkspaceMeta & WorkspacePreferences;
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declare interface IntegralsNucleusPreferences {
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@@ -503,6 +505,7 @@ export declare class NMRiumCore {
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readonly version: 13;
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registerPlugin(plugin: NMRiumPlugin): void;
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registerPlugins(plugins: NMRiumPlugin[]): void;
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private getPlugin;
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migrate(state: any): any;
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/**
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* Try to read any kind of files to build a NMRiumState
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@@ -758,6 +761,7 @@ export declare interface NMRiumPluginOnReadProcess {
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/**
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* Filter file loader by extension.
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* Extensions should be in lowercase.
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* The extensions does not include the dot.
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*/
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supportedExtensions?: readonly string[];
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/**
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@@ -1331,7 +1335,7 @@ export declare interface SumOptions {
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export declare const SUPPORTED_UI_SLOTS: readonly ["topbar.right", "topbar.about_us.modal"];
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/**
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* Cache inverted relationship between deprecated and supported.
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* Cache inverted the relationship between deprecated and supported.
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*/
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export declare const SUPPORTED_UI_TO_DEPRECATED_UI_SLOTS: Partial<Record<SupportedUISlot, DeprecatedUISlot[]>>;
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package/dist/nmrium-core.js
CHANGED
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@@ -1,6 +1,6 @@
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1
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-
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o;throw new RangeError("An array with a index out of boundaries")}return e}var _e=new Set(["t1ir","T1"]);function ae(e){let t=[];for(let o of e){let{info:{pulseSequence:r,isFid:i}}=o,{data:n,info:c,meta:{vdlistValues:s=[]}}=o;if(!(r&&_e.has(r))||s.length===0){t.push(o);continue}let a=i?"re":"rr",p={};for(let y in c)p[y]=W(c[y]);let{z:m,maxX:u,minX:f}=n[a],d=Ve({from:f,to:u,size:m[0].length}),[g,S]=Ke(o);for(let y=0;y<s.length;y++){let P={re:d,x:d};for(let x in n)P[Be(x)]=n[x].z.at(g*(y+S));t.push(R({data:P,info:{...p,name:`${p.name}_${s[y]}`,dimension:1,vd:s[y]}}))}}return t}function Be(e){return["rr","re"].includes(e)?"re":["im","ri","ir","ii"].includes(e)?"im":"x"}function Ke(e){let{meta:{PAGE:t}}=e,o=!0;if(t){let r=i=>Number.parseFloat(i.replace(/[F|T]1=/,""));o=r(t[0])>r(t[2])}return o?[-1,1]:[1,0]}var We=2,Xe=1;function Ye(e){let{spectra:t=[],molecules:o}=e,r=[];for(let i of t){let{info:n}=i;switch(n.dimension){case Xe:r.push(R(i));break;case We:r.push(C(i));break;default:throw 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t}function $e(e){return e.map(t=>(t.signals&&(t.signals=t.signals.map(o=>{if(o.x&&o.y){let{x:{fromTo:r,...i},y:{fromTo:n,...c}}=o;o={...o,x:{...i,...r},y:{...c,...n}}}else{let{fromTo:r,deltaX:i,resolutionX:n,nucleusX:c,deltaY:s,resolutionY:l,nucleusY:a,shiftX:p,shiftY:m,...u}=o;o={...u,x:{from:r[0].from,to:r[0].to,delta:i,resolution:n,nucleus:c},y:{from:r[1].from,to:r[1].to,delta:s,resolution:l,nucleus:a}}}return o},[])),t),[])}var Ge={name:"apodization",label:"Apodization",value:{lineBroadening:1,gaussBroadening:0,lineBroadeningCenter:0}};function Z(e){if(e?.version===3)return e;let t={...e,version:3};for(let o of t.spectra)if(Array.isArray(o?.filters)&&o?.filters.length>0){let r=o.filters.findIndex(i=>i.name==="lineBroadening");if(r!==-1){let i={...o.filters[r],...Ge};o.filters[r]=o.filters[r-1],o.filters[r-1]=i}}return t}function $(e){if(e?.version===4)return e;let{version:t,...o}=e,r=[],i={};for(let{source:s,...l}of o.spectra){let 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var ve={NORMAL:"NORMAL",FORMULA:"FORMULA"};var Me={RELATIVE:"relative",ABSOLUTE:"absolute",MIN:"min",MAX:"max"};var Ce=[{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 N=13;var Ae=[{key:"CT",description:"CT from NMR Solutions"}];import{isAnyArray as Fe}from"is-any-array";import{xMultiply as B}from"ml-spectra-processing";var we=crypto.randomUUID.bind(crypto),x=we;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=Te(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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te(e){let{version:t}=e;if(t>=11)return e;let o={...e,version:11};return e?.view?.molecules&&(o.view=et(e.view)),o}function et(e){let{molecules:t,...o}=e,r={};for(let[i,n]of Object.entries(t)){let{showAtomNumber:c,...s}=n;r[i]={...s,atomAnnotation:"none",showLabel:!1}}return{molecules:r,...o}}function re(e){if(e?.version>=12)return e;let t={...e,version:12};if(t.data){let o=e.data.spectra??[],r=e.data.molecules??[];for(let i of o){let{sourceId:n,fileCollectionId:c,sourceSelector:s}=i;delete i.sourceId,delete i.fileCollectionId,delete i.sourceSelector,s&&(i.selector={...s,root:c??n})}for(let i of r){let{sourceId:n,fileCollectionId:c,sourceSelector:s}=i;delete i.sourceId,delete i.fileCollectionId,delete i.sourceSelector,s&&(i.selector={...s,root:c??n})}}return t}function oe(e){if(e?.version>=13)return e;let t={...e,version:13};if(t.data){let o=e.data.spectra??[];for(let r of o){let i=r.ranges?.values??[];for(let n of i){let{diaIDs:c,assignment:s,nbAtoms:l,signals:a=[]}=n,p=a.some(m=>m.diaIDs&&m.diaIDs.length>0);for(let m of a)!p&&c&&l&&(m.diaIDs=c,m.nbAtoms=l),!m.assignment&&s&&(m.assignment=s);delete n.diaIDs,delete n.assignment,delete n.nbAtoms}}}return t}function I(e,t){e.plugins||(e.plugins={});let o=e.plugins;for(let r of t.values()){if(!r.shouldSerialize){delete o[r.id];continue}o[r.id]||(o[r.id]={id:r.id,version:r.version}),o[r.id].id=r.id,o[r.id].version=r.version}}var tt=[X,Y,Z,$,G,J,q,H,Q,ee,te,re,oe];function pe(e,t,o){let r=structuredClone(e),i=Object.entries(e?.plugins??{});for(let[s,{version:l}]of i){let a=o.get(s);if(!(a&&a.version>=l)){if(a){console.warn(`Plugin "${a.id}" is loaded with a version older (${a.version}) than the one used to save the state (${l}).
|
|
2
2
|
NMRium may fail to load the state.
|
|
3
3
|
Please update the plugin to the latest version.`);continue}console.warn(`Plugin "${s}@${l}" is not registered. NMRium may fail to load the state.
|
|
4
|
-
Please consider open this file with the plugin installed.`)}}let n=new Set,c=()=>{let s=r.version;for(let l of o.values())for(let a of l.migrations){if(n.has(a)||s<a.minCore||a.maxCore&&s>a.maxCore)continue;if((r.plugins?.[l.id]?.version||0)===l.version)break;r=a.up(r),n.add(a)}};for(let s=e?.version||0;s<t;s++){let l=tt[s];r=l(r),c()}return c(),O(r,o),r}var rt=["topbar.right","topbar.about_us.modal"],ot=[],Qr=[...rt,...ot],it={},ie={};{let e=it,t=ie;for(let[o,r]of Object.entries(e))t[r]||(t[r]=[]),t[r]?.push(o)}function*me(e){let{slot:t,plugins:o,supportedToDeprecatedSlots:r=ie}=e,i=r[t];for(let[n,c]of o.entries()){let s=c.ui;if(!s)continue;let l=s[t];if(l){yield[n,l];continue}if(i)for(let a of i){let p=c.ui?.[a];if(p){yield[n,p],console.warn(`Plugin ${c.id} used deprecated slot "${a}". 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Ne(e){let{subRoots:t,selector:o}=e;if(!o)return;let{root:r}=o;if(r)return t.get(r)}import{FileCollection as Nt}from"file-collection";async function be(e){let{source:t,plugins:o,options:r={},sourceId:i=crypto.randomUUID()}=e,{converter:n,...c}=r,s={...t,id:i},l={spectra:[],molecules:[]},a=await Nt.fromSource(s,{unzip:{zipExtensions:["zip","nmredata"]}}),{spectra:p=[],molecules:m=[]}=await L(a,o,{converter:{...n,bruker:{keepFiles:!0,...Reflect.get(n??{},"bruker")}},...c});l.spectra.push(...p),l.molecules.push(...m);for(let g of l.spectra)g.selector??={root:i},g.selector.root=i;for(let g of l.molecules)g.selector??={root:i},g.selector.root=i;l.sources??=[],l.sources.push(s);let u=T({version:13,data:l},r?.selector?.general),{onLoadProcessing:f}=c,d={filters:f?.filters,autoProcessing:f?.autoProcessing??!1,experimentalFeatures:r.experimentalFeatures};return E({nmriumState:u,plugins:o,options:d}),[u,a,i]}function M(e,t){let o={};for(let r in e)t.includes(r)||(o[r]=e[r]);return o}var 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wt(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 Ft(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 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|
|
4
|
+
Please consider open this file with the plugin installed.`)}}let n=new Set,c=()=>{let s=r.version;for(let l of o.values())for(let a of l.migrations){if(n.has(a)||s<a.minCore||a.maxCore&&s>a.maxCore)continue;if((r.plugins?.[l.id]?.version||0)===l.version)break;r=a.up(r),n.add(a)}};for(let s=e?.version||0;s<t;s++){let l=tt[s];r=l(r),c()}return c(),I(r,o),r}var rt=["topbar.right","topbar.about_us.modal"],ot=[],to=[...rt,...ot],it={},ie={};nt(it,ie);function nt(e,t){for(let[o,r]of Object.entries(e))t[r]||(t[r]=[]),t[r]?.push(o)}function*me(e){let{slot:t,plugins:o,supportedToDeprecatedSlots:r=ie}=e,i=r[t];for(let[n,c]of o.entries()){let s=c.ui;if(!s)continue;let l=s[t];if(l){yield[n,l];continue}if(i)for(let a of i){let p=c.ui?.[a];if(p){yield[n,p],console.warn(`Plugin ${c.id} used deprecated slot "${a}". 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Rt=["data","originalData","info","originalInfo","meta","customInfo"],Ot=["data","originalData","info","originalInfo","meta","customInfo"],It=["selector","originalData","originalInfo"];function Re(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=Dt({...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 Dt(e,t="rawData",o){let{spectra:r}=e;switch(t){case"dataSource":return vt(e);case"selfContained":case"selfContainedExternalDatasource":return Mt(e,o);case"rawData":return{...M(e,["sources"]),spectra:r.map(Oe)};default:return e}}function vt(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=>At(n,t))}}function Ct(e){return M(e,Rt)}function At(e,t){return!("selector"in e)||t?.includes(e.id)?Oe(e):M(e,Ot)}function Oe(e){let{data:t,info:o,originalData:r,originalInfo:i}=e,n=M(e,It);return n.data=r||t,n.info=i||o,n}import{FileCollection as wt}from"file-collection";async function Ie(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 wt({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 se=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)}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 he({input:t,options:o,plugins:this.#e,migrator:this.migrate.bind(this)})}readNMRiumObject(t,o,r){return V({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 be({source:t,options:o,plugins:this.#e})}serializeNmriumState(t,o){return Re(t,this.#e,o)}serializeNmriumArchive(t){let o=this.serializeNmriumState.bind(this);return Ie(o,t)}serializePlugins(){let t={plugins:{}};return
|
|
6
|
+
`)}var se=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 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 he({input:t,options:o,plugins:this.#e,migrator:this.migrate.bind(this)})}readNMRiumObject(t,o,r){return V({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 be({source:t,options:o,plugins:this.#e})}serializeNmriumState(t,o){return Re(t,this.#e,o)}serializeNmriumArchive(t){let o=this.serializeNmriumState.bind(this);return Ie(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>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 De=[{version:6,fun:A},{version:7,fun:w}];function Lt(e){let{version:t}=e||{},o=Et(De,t);if(o===-1)return{...e,version:13};let r=De.slice(o);for(let i of r)e=i.fun(e);return e}export{ve as ANALYSIS_COLUMN_TYPES,Me as ANALYSIS_COLUMN_VALUES_KEYS,N as CURRENT_EXPORT_VERSION,Ae as EXTERNAL_API_KEYS,se as NMRiumCore,Ze as defineNMRiumPlugin,Ye as formatSpectra,x as generateID,W as getOneIfArray,Lt as migrateSettings,Ce as units};
|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@zakodium/nmrium-core",
|
|
3
|
-
"version": "0.6.
|
|
3
|
+
"version": "0.6.3",
|
|
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",
|
|
@@ -29,10 +29,11 @@
|
|
|
29
29
|
"@zakodium/nmr-types": "^0.5.1",
|
|
30
30
|
"esbuild": "^0.27.0",
|
|
31
31
|
"jest-matcher-deep-close-to": "^3.0.2",
|
|
32
|
+
"msw": "^2.12.7",
|
|
32
33
|
"react-science": "^19.7.1",
|
|
33
34
|
"rimraf": "^6.1.2",
|
|
34
35
|
"typescript": "~5.9.3",
|
|
35
|
-
"vitest": "^4.0.
|
|
36
|
+
"vitest": "^4.0.18"
|
|
36
37
|
},
|
|
37
38
|
"dependencies": {
|
|
38
39
|
"cheminfo-types": "^1.8.1",
|
|
@@ -46,5 +47,5 @@
|
|
|
46
47
|
"volta": {
|
|
47
48
|
"extends": "../../../package.json"
|
|
48
49
|
},
|
|
49
|
-
"gitHead": "
|
|
50
|
+
"gitHead": "bff4790ea356055b08d716cd063eb0815c59e7e7"
|
|
50
51
|
}
|