@zakodium/nmrium-core 0.7.1 → 0.7.2
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 +56 -0
- package/dist/nmrium-core.js +3 -3
- package/package.json +2 -2
package/dist/nmrium-core.d.ts
CHANGED
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@@ -118,6 +118,31 @@ declare interface AnalysisPreferences extends AnalysisOptions {
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export declare type AutoProcessingFilterEntry = Omit<Filter1DOptions | Filter2DOptions, 'value'>;
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export declare interface AxisPreferences {
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primaryTicks: {
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textStyle: TextStyle;
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};
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secondaryTicks: {
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enabled: boolean;
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};
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gridlines1D: AxisPreferencesGridlines;
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gridlines2D: AxisPreferencesGridlines;
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}
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export declare interface AxisPreferencesGridline {
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enabled: boolean;
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lineStyle: LineStyle;
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}
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export declare interface AxisPreferencesGridlines {
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primary: AxisPreferencesGridline;
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secondary: AxisPreferencesGridline;
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}
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export declare type AxisUnit = (typeof axisUnits)[number];
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export declare const axisUnits: readonly ["ppm", "hz", "pt", "s"];
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declare interface BaseExportSettings {
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useDefaultSettings: boolean;
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dpi: number;
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@@ -445,6 +470,36 @@ export declare type Layout = 'portrait' | 'landscape';
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export declare type LegendField = JpathLegendField | PredefinedLegendField;
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/**
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SVG text styles that can be controlled by the user.
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It is a copy of `react-science/ui#SVGStyledLineUserConfig`
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*/
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export declare interface LineStyle {
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/**
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* Line color.
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* @default '#000000'
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*/
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stroke?: string;
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/**
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* Line opacity.
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* Range: [0, 1]
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* @default 1
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*/
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strokeOpacity?: number;
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/**
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* Line width.
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* Range: [0, ∞)
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* @default 1
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*/
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strokeWidth?: number;
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/**
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* Line stroke pattern.
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* The `stroke-dasharray` attribute is computed from it and `strokeWidth`
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* @default 'solid'
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*/
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strokeDasharray?: 'solid' | 'dashed' | 'dotted' | 'dashed-dot';
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}
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declare interface LoadersPreferences {
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general: GeneralLoadersSelector;
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bruker: BrukerLoaderSelector;
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@@ -1460,6 +1515,7 @@ export declare interface WorkspacePreferences {
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peaksLabel?: PeaksLabel;
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acsExportSettings?: ACSExportSettings;
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defaultMoleculeSettings?: MoleculeView;
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axis?: AxisPreferences;
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}
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/**
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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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-
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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new RangeError("An array with a index out of boundaries")}return e}var We=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&&We.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=Ke({from:f,to:u,size:m[0].length}),[g,S]=Ye(o);for(let y=0;y<s.length;y++){let P={re:d,x:d};for(let h in n)P[Xe(h)]=n[h].z.at(g*(y+S));t.push(O({data:P,info:{...p,name:`${p.name}_${s[y]}`,dimension:1,vd:s[y]}}))}}return t}function Xe(e){return["rr","re"].includes(e)?"re":["im","ri","ir","ii"].includes(e)?"im":"x"}function Ye(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 Ze=2,$e=1;function Ge(e){let{spectra:t=[],molecules:o}=e,r=[];for(let i of t){let{info:n}=i;switch(n.dimension){case $e:r.push(O(i));break;case Ze:r.push(M(i));break;default:throw new 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t}function qe(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 He={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],...He};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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t={...e,version:5},o={originFrom:"originalFrom",originTo:"originalTo",originDelta:"originalDelta",originX:"originalX",originY:"originalY",originZ:"originalZ"};for(let r of t?.data?.spectra||[])for(let i of["peaks","ranges","zones"])r?.[i]&&(r[i]=N(r[i],o));return t}function J(e){if(e?.version===6)return e;let t={...e,version:6};for(let o of t?.data?.spectra||[]){let{digitalFilter:r,fft:i,phaseCorrection:n}=et(o);i?.flag&&r?.flag&&n&&Math.floor(r.value.digitalFilterValue)%2>0&&(n.value.ph0-=180)}return t}function et(e,t=["phaseCorrection","fft","digitalFilter"]){let{filters:o=[]}=e,r={};for(let i of t)r[i]=o.find(n=>n.name===i);return r}function C(e,t="localStorage"){if(e?.version===7)return e;if(t==="nmrium")return le(e);let o={...e,version:7};for(let r in e.workspaces)o.workspaces[r]=le(o.workspaces[r]);return o}function le(e){let{formatting:{nuclei:t,panels:o}={nuclei:null,panels:null},version:r,...i}=e,n={...i};return t&&(n.nuclei=tt(t)),o&&(n.panels=o),n}function tt(e){let t=[],o={name:"nucleus",ppm:"ppmFormat",hz:"hzFormat"};for(let r in e)t.push(N(e[r],o));return t}function q(e){if(e?.version===7)return e;let t={...e,version:7};return t?.settings&&(t.settings=C(t.settings,"nmrium")),t}function w(e,t="localStorage"){if(e?.version===8)return e;if(t==="nmrium")return ce(e);let o={...e,version:8};for(let r in e.workspaces)o.workspaces[r]=ce(o.workspaces[r]);return o}function ce(e){let{version:t,...o}=e,r={...o};return r.display.panels=rt(e),r}function rt(e){let t={},o=e.display.panels;for(let r of Object.keys(o)){let{display:i,open:n}=o[r];t[r]={display:i,visible:i,open:n}}return t}function H(e){if(e?.version===8)return e;let t={...e,version:8};t?.settings&&(t.settings=w(t.settings,"nmrium"));for(let o of t?.data?.spectra||[]){let{filters:r=[]}=o;for(let s=0;s<r.length;s++){let{flag:l,isDeleteAllow:a,label:p,...m}=r[s];r[s]={...m,enabled:l}}let i=r.findIndex(s=>s.name==="apodization");if(i!==-1){let s=r[i],{lineBroadening:l,gaussBroadening:a,lineBroadeningCenter:p}=s.value;s.value={exponential:{apply:!0,options:{lineBroadening:a>0?-l:l}}},a>0&&(s.value.gaussian={apply:!0,options:{lineBroadening:.6*a,lineBroadeningCenter:p}}),r[i]=s}let n=r.findIndex(s=>s.name==="apodizationDimension1"),c=r.findIndex(s=>s.name==="apodizationDimension2");if(n!==-1){let s=r[n],{shapes:l}=s.value.compose;s.value=ue(l)}if(c!==-1){let s=r[c],{shapes:l}=s.value.compose;s.value=ue(l)}}return t}function ue(e){let t={};for(let{shape:o}of e){let{kind:r,options:i}=o;if(r==="sineBell"){let{exponent:n,offset:c}=i,s=n===2?"sineSquare":"sineBell";t[s]={apply:!0,options:{offset:c}}}}return t}function Q(e){let{version:t,plugins:o,...r}=e;return t===9?e:{version:9,plugins:{},...r}}function ee(e){if(e?.version>=10)return e;let t={...e,version:10};if(e.data){let{source:o,spectra:r,...i}=e.data,n=o?x():void 0,c=o?[{...o,id:n}]:[];t.data={...i,sources:c,spectra:o?r?.map(s=>({...s,sourceId:n})):r}}return t}function te(e){let{version:t}=e;if(t>=11)return e;let o={...e,version:11};return e?.view?.molecules&&(o.view=ot(e.view)),o}function ot(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 ie(e){if(e?.version>=14)return e;let t={...e,version:14};if(e?.data?.spectra){let o=e.data.spectra??[],r={};for(let i of o){let{display:n={}}=i;if(!("contourOptions"in n))continue;let{contourOptions:c}=n;r[i.id]=c,delete i.display.contourOptions}Object.keys(r).length>0&&(t.view={...e.view,spectraContourLevels:r}),t.view&&delete t.view.zoom}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 it=[X,Y,Z,$,G,J,q,H,Q,ee,te,re,oe,ie];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}).
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var Ae={NORMAL:"NORMAL",FORMULA:"FORMULA"};var we={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 Te=["ppm","hz","pt","s"];var b=14;var Ee=[{key:"CT",description:"CT from NMR Solutions"}];import{isAnyArray as ke}from"is-any-array";import{xMultiply as B}from"ml-spectra-processing";var Le=crypto.randomUUID.bind(crypto),x=Le;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 n){let{scaleFactor:g}=n,{re:S,im:y}=u.data;B(S,g,{output:S}),y&&B(y,g,{output:y})}l&&(u.selector=l),a&&(u.sourceId=a,u.fileCollectionId=a);let d=ke(f.im);if(u.info={phc0:0,phc1:0,nucleus:"1H",isFid:!1,isComplex:d,dimension:1,name:n?.name||t,...n},n.isFid&&n.reverse&&d){let{im:g}=u.data;B(g,-1,{output:g}),u.info.reverse=!1}return u.display={isVisible:!0,isPeaksMarkersVisible:!0,isRealSpectrumVisible:!0,isVisibleInDomain:!0,...e.display},u.peaks={values:[],options:{},...r},u.ranges={values:[],options:{sum:null,isSumConstant:!0,sumAuto:!0},...c},u.integrals={values:[],options:{},...s},{...m,...u}}function ze(e){let t=e[0]?.data?.x||[],o=e[0]?.data?.re||e[0]?.data?.y||[],r=e[0]?.data?.im||e[1]?.data?.y||null;return t.length>0&&t[0]>t[1]&&(t.reverse(),o.reverse(),r&&r.reverse()),{x:t,re:o,im:r}}import{matrixToArray as Ue,xMinMaxValues as Ve,xNoiseSanPlot as je}from"ml-spectra-processing";var K={z:[[]],minX:0,minY:0,maxX:0,maxY:0},_e={re:K,im:K},Be={rr:K};function 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t=[],o={name:"nucleus",ppm:"ppmFormat",hz:"hzFormat"};for(let r in e)t.push(N(e[r],o));return t}function q(e){if(e?.version===7)return e;let t={...e,version:7};return t?.settings&&(t.settings=C(t.settings,"nmrium")),t}function A(e,t="localStorage"){if(e?.version===8)return e;if(t==="nmrium")return ce(e);let o={...e,version:8};for(let r in e.workspaces)o.workspaces[r]=ce(o.workspaces[r]);return o}function ce(e){let{version:t,...o}=e,r={...o};return r.display.panels=ot(e),r}function ot(e){let t={},o=e.display.panels;for(let r of Object.keys(o)){let{display:i,open:n}=o[r];t[r]={display:i,visible:i,open:n}}return t}function H(e){if(e?.version===8)return e;let t={...e,version:8};t?.settings&&(t.settings=A(t.settings,"nmrium"));for(let o of t?.data?.spectra||[]){let{filters:r=[]}=o;for(let s=0;s<r.length;s++){let{flag:l,isDeleteAllow:a,label:p,...m}=r[s];r[s]={...m,enabled:l}}let i=r.findIndex(s=>s.name==="apodization");if(i!==-1){let 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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=it(e.view)),o}function it(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 ie(e){if(e?.version>=14)return e;let t={...e,version:14};if(e?.data?.spectra){let o=e.data.spectra??[],r={};for(let i of o){let{display:n={}}=i;if(!("contourOptions"in n))continue;let{contourOptions:c}=n;r[i.id]=c,delete i.display.contourOptions}Object.keys(r).length>0&&(t.view={...e.view,spectraContourLevels:r}),t.view&&delete t.view.zoom}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 nt=[X,Y,Z,G,$,J,q,H,Q,ee,te,re,oe,ie];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=it[s];r=l(r),c()}return c(),I(r,o),r}var nt=["topbar.right","topbar.about_us.modal"],st=[],oo=[...nt,...st],at={},ne={};lt(at,ne);function lt(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=ne}=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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t){let{data:i,...n}=t;return{...de(n,r),data:i}}else if("zones"in t){let{data:i,...n}=t;return{...de(n,r),data:i}}else return t}function pt(e){return{...e,id:x()}}function k(e){let{spectrum:t,spectraResult:o,logger:r}=e,{dimension:i}=t.info;if(i===1){if(!ut(t.data)){r?.error('The ".nmrium" file is corrupted; the X-axis values are not equally distant.');return}o.push(O(t))}else i===2&&o.push(M(t))}async function U(e){let{input:t,moleculesResult:o,unserializedMolecule:r,options:i,plugins:n,migrator:c}=e,{selector:s}=r,a=(await v({input:t,migrator:c,plugins:n,options:{...i,selector:s}}))?.state?.data?.molecules??[];for(let p of a)!p.selector?.root&&s?.root&&(p.selector??=s,p.selector.root=s.root),o.push({...r,...p})}function V(e){let{molecule:t,moleculesResult:o}=e;o.push(t)}async function j(e){let{nmriumObjectInput:t,options:o={},migrator:r,plugins:i,fromSourceOptions:n}=e,c=r(t),{data:s,...l}=c,a=new Se;if(!s)return{state:l,aggregator:a,containsNmrium:!0};let p={data:{...s,spectra:[],molecules:[]},...l},m=p.data,{sources:u=[],spectra:f,molecules:d}=m,g=await Promise.all(u.map(async P=>{let h=await Se.fromSource(P,{unzip:{zipExtensions:["zip","nmredata"]}},n);if(!P.baseURL)for(let R of P.entries)R.baseURL||(R.baseURL=n?.baseURL);return[P.id,h]})),S=new Map(g),y=[];for(let P of s.spectra){let h=P.selector?.root??"",R=S.get(h);if(!R){k({spectrum:P,spectraResult:f,logger:o.logger});continue}y.push(z({input:R,spectraResult:f,unserializedSpectrum:P,migrator:r,plugins:i,options:o}))}for(let P of s.molecules??[]){let h=P.selector?.root??"",R=S.get(h);if(!R){V({molecule:P,moleculesResult:d,logger:o.logger});continue}y.push(U({input:R,unserializedMolecule:P,moleculesResult:d,migrator:r,plugins:i,options:o}))}await Promise.allSettled(y);for(let[P,h]of S.entries())a.appendFileCollection(h,P);return{state:p,aggregator:a,containsNmrium:!0}}async function _(e){let{file:t,options:o={},migrator:r,plugins:i,fromSourceOptions:n}=e,c="byteLength"in t?t:await t.arrayBuffer(),s=ye.isZip(c)?await mt(c):new TextDecoder("utf-8").decode(c);return j({nmriumObjectInput:JSON.parse(s),plugins:i,migrator:r,options:o,fromSourceOptions:n})}async function mt(e){let t=await ye.fromZip(e);if(t.files.length===0)throw new Error("compressed nmrium file is corrupted");return t.files[0].text()}async function v(e){let{options:t={},input:o,migrator:r,plugins:i,fromSourceOptions:n}=e,{selectorRoot:c=x()}=t,s=gt(await ft(o),t.selector?.files),l=St(s);if(l)return await _({file:l,migrator:r,plugins:i,options:t,fromSourceOptions:n});let a=await L(s,i,t),p=T({version:14,data:a},t?.selector?.general,t.logger),{onLoadProcessing:m,experimentalFeatures:u}=t,f={...m,autoProcessing:m?.autoProcessing??!1,experimentalFeatures:u};E({nmriumState:p,plugins:i,options:f}),yt(p,c);let d=new Pe().appendFileCollection(s,c);return{state:p,aggregator:d,containsNmrium:!1}}function ft(e){return Array.isArray(e)?Promise.reject(new Error("For a set of fileCollectionItems pass a 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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(`
|
|
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=nt[s];r=l(r),c()}return c(),I(r,o),r}var st=["topbar.right","topbar.about_us.modal"],at=[],so=[...st,...at],lt={},ne={};ct(lt,ne);function ct(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=ne}=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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p={data:{...s,spectra:[],molecules:[]},...l},m=p.data,{sources:u=[],spectra:f,molecules:d}=m,g=await Promise.all(u.map(async P=>{let h=await Se.fromSource(P,{unzip:{zipExtensions:["zip","nmredata"]}},n);if(!P.baseURL)for(let R of P.entries)R.baseURL||(R.baseURL=n?.baseURL);return[P.id,h]})),S=new Map(g),y=[];for(let P of s.spectra){let h=P.selector?.root??"",R=S.get(h);if(!R){z({spectrum:P,spectraResult:f,logger:o.logger});continue}y.push(k({input:R,spectraResult:f,unserializedSpectrum:P,migrator:r,plugins:i,options:o}))}for(let P of s.molecules??[]){let h=P.selector?.root??"",R=S.get(h);if(!R){V({molecule:P,moleculesResult:d,logger:o.logger});continue}y.push(U({input:R,unserializedMolecule:P,moleculesResult:d,migrator:r,plugins:i,options:o}))}await Promise.allSettled(y);for(let[P,h]of S.entries())a.appendFileCollection(h,P);return{state:p,aggregator:a,containsNmrium:!0}}async function _(e){let{file:t,options:o={},migrator:r,plugins:i,fromSourceOptions:n}=e,c="byteLength"in t?t:await 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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=>!xt(t.relativePath))}function xt(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 ht.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=bt(i),d=[];for(let g of m)d.push(Nt({subRoots:f,unserializedSpectrum:g,spectraResult:a,options:t,plugins:o,migrator:r}));for(let g of u)d.push(Rt({subRoots:f,unserializedMolecule:g,moleculesResult:p,options:t,plugins:o,migrator:r}));return await Promise.allSettled(d),{state:l,aggregator:c,containsNmrium:!0}}function bt(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 Nt(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 z({spectrum:o,spectraResult:r,logger:i?.logger});await k({input:l,unserializedSpectrum:o,spectraResult:r,options:i,plugins:n,migrator:c})}async function Rt(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 Ot=["data","originalData","info","originalInfo","meta","customInfo"],It=["data","originalData","info","originalInfo","meta","customInfo"],vt=["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=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 Mt(e);case"selfContained":case"selfContainedExternalDatasource":return Ct(e,o);case"rawData":return{...D(e,["sources"]),spectra:r.map(De)};default:return e}}function Mt(e){let{spectra:t}=e;if(!e.sources)throw new Error("sources property should exists for dataSource serialization");return{...e,spectra:t.map(At)}}function Ct(e,t){let{spectra:o,sources:r,...i}=e;return{...i,spectra:o.map(n=>wt(n,t))}}function At(e){return D(e,Ot)}function wt(e,t){return!("selector"in e)||t?.includes(e.id)?De(e):D(e,It)}function De(e){let{data:t,info:o,originalData:r,originalInfo:i}=e,n=D(e,vt);return n.data=r||t,n.info=i||o,n}import{FileCollection as Ft}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 Ft({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:Tt(e,o,r,{externalData:i,includeData:n,includeView:s,includeSettings:c})},yield{relativePath:"index.txt",data:Et({aggregator:r,spectra:l,molecules:a,index:m})}}})}function Tt(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 Et(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=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
|
|
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 Lt(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:A}];function kt(e){let{version:t}=e||{},o=Lt(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{Ae as ANALYSIS_COLUMN_TYPES,we as ANALYSIS_COLUMN_VALUES_KEYS,b as CURRENT_EXPORT_VERSION,Ee as EXTERNAL_API_KEYS,se as NMRiumCore,Te as axisUnits,qe as defineNMRiumPlugin,Je as formatSpectra,x as generateID,W as getOneIfArray,kt 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.
|
|
3
|
+
"version": "0.7.2",
|
|
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": "
|
|
50
|
+
"gitHead": "84856d26abf1da37fdb9e8f28c5d358ddd8ccebc"
|
|
51
51
|
}
|