@zakodium/nmrium-core 0.1.1 → 0.1.3
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 +12 -12
- package/dist/nmrium-core.js +2 -2
- package/package.json +13 -10
package/dist/nmrium-core.d.ts
CHANGED
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@@ -2,22 +2,22 @@ import type { CorrelationData } from 'nmr-correlation';
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import type { FifoLoggerOptions } from 'fifo-logger';
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import { FileCollection } from 'filelist-utils';
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import type { FileCollectionItem } from 'filelist-utils';
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5
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-
import type { Filter1DEntry } from 'nmr-
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6
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-
import type { Filter1DOptions } from 'nmr-
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7
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-
import type { Filter2DEntry } from 'nmr-
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8
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-
import type { Filter2DOptions } from 'nmr-
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9
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-
import type { Info1D } from 'nmr-
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10
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-
import type { Info2D } from 'nmr-
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11
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-
import type { Integrals } from 'nmr-
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5
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import type { Filter1DEntry } from '@zakodium/nmr-types';
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6
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import type { Filter1DOptions } from '@zakodium/nmr-types';
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7
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import type { Filter2DEntry } from '@zakodium/nmr-types';
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8
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import type { Filter2DOptions } from '@zakodium/nmr-types';
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9
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import type { Info1D } from '@zakodium/nmr-types';
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10
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import type { Info2D } from '@zakodium/nmr-types';
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11
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import type { Integrals } from '@zakodium/nmr-types';
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import type { Logger } from 'cheminfo-types';
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13
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-
import type { MatrixOptions } from 'nmr-
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13
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import type { MatrixOptions } from '@zakodium/nmr-types';
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import type { NmrData1D } from 'cheminfo-types';
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import type { NmrData2D } from 'cheminfo-types';
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-
import type { Peaks } from 'nmr-
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-
import type { Ranges } from 'nmr-
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16
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import type { Peaks } from '@zakodium/nmr-types';
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17
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import type { Ranges } from '@zakodium/nmr-types';
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import { SerializedNmriumState } from './core_serialize.js';
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import type { WebSource } from 'filelist-utils';
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-
import type { Zones } from 'nmr-
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import type { Zones } from '@zakodium/nmr-types';
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export declare interface ActiveSpectrum {
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id: string;
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@@ -370,7 +370,7 @@ declare interface LoadersPreferences {
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declare type MatrixGeneration = Record<string, MatrixGenerationOptions>;
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export declare interface MatrixGenerationOptions {
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373
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-
matrixOptions: MatrixOptions
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373
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+
matrixOptions: MatrixOptions<object>;
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/**
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* boolean indicator to hide/show box plot
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* @default false
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package/dist/nmrium-core.js
CHANGED
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@@ -1,4 +1,4 @@
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1
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-
var le={NORMAL:"NORMAL",FORMULA:"FORMULA"};var ce={RELATIVE:"relative",ABSOLUTE:"absolute",MIN:"min",MAX:"max"};var ue=[{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 P=9;var pe=[{key:"CT",description:"CT from NMR Solutions"}];import{isAnyArray as fe}from"is-any-array";import{xMultiply as
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1
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+
var le={NORMAL:"NORMAL",FORMULA:"FORMULA"};var ce={RELATIVE:"relative",ABSOLUTE:"absolute",MIN:"min",MAX:"max"};var ue=[{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 P=9;var pe=[{key:"CT",description:"CT from NMR Solutions"}];import{isAnyArray as fe}from"is-any-array";import{xMultiply as I}from"ml-spectra-processing";var me=crypto.randomUUID.bind(crypto),b=me;function N(e){let{id:t=b(),meta:n,peaks:r={},filters:o=[],info:s={},ranges:u={},integrals:i={},selector:a,dependentVariables:c=[],...f}=e,l={id:t,meta:n,filters:o},{data:d=ge(c[0].components)}=e;if(Array.isArray(s.nucleus)&&(s.nucleus=s.nucleus[0]),l.data={x:[],re:[],im:[],...d},"scaleFactor"in s){let{scaleFactor:p}=s,{re:g,im:y}=l.data;I(g,p,{output:g}),y&&I(y,p,{output:y})}a&&(l.selector=a);let m=fe(d.im);if(l.info={phc0:0,phc1:0,nucleus:"1H",isFid:!1,isComplex:m,dimension:1,name:s?.name||t,...s},s.isFid&&s.reverse&&m){let{im:p}=l.data;I(p,-1,{output:p}),l.info.reverse=!1}return l.display={isVisible:!0,isPeaksMarkersVisible:!0,isRealSpectrumVisible:!0,isVisibleInDomain:!0,...e.display},l.peaks={values:[],options:{},...r},l.ranges={values:[],options:{sum:null,isSumConstant:!0,sumAuto:!0},...u},l.integrals={values:[],options:{},...i},{...f,...l}}function ge(e){let t=e[0]?.data?.x||[],n=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(),n.reverse(),r&&r.reverse()),{x:t,re:n,im:r}}import{matrixToArray as de,xMinMaxValues as ye,xNoiseSanPlot as Se}from"ml-spectra-processing";var j={z:[[]],minX:0,minY:0,maxX:0,maxY:0},Pe={re:j,im:j},xe={rr:j};function O(e){let{id:t=b(),meta:n={},dependentVariables:r=[],info:o={},filters:s=[],zones:u=[],...i}=e,a={id:t,meta:n,filters:s};a.info={nucleus:["1H","1H"],isFid:!1,isComplex:!1,name:o?.name||b(),...o},a.originalInfo=structuredClone(a.info),a.display={isPositiveVisible:!0,isNegativeVisible:!0,isVisible:!0,dimension:2,...e.display,...e.display};let{data:c=r[0].components}=e;if(a.data={...a.info.isFid?Pe:xe,...c},a.originalData=structuredClone(a.data),!("spectrumSize"in o)){let f=o.isFid?"re":"rr",l=a.data[f].z.length,d=l>0?a.data[f].z[0].length:0;a.info.spectrumSize=[d,l]}if(!o.isFid){let f=a.data.rr,l=de(f.z),{positive:d,negative:m}=Se(l),{min:p,max:g}=ye(l);a.data.rr={...f,minZ:p,maxZ:g},a.info.noise={positive:d,negative:m}}return a.zones={values:[],options:{},...u},{...i,...a}}import{xSequentialFillFromTo as Ne}from"ml-spectra-processing";import{isAnyArray as be}from"is-any-array";function L(e,t=0){if(be(e)){let n=e.at(t);if(n!==void 0)return n;throw new RangeError("An array with a index out of boundaries")}return e}var he=new Set(["t1ir","T1"]);function $(e){let t=[];for(let n of e){let{info:{pulseSequence:r,isFid:o}}=n,{data:s,info:u,meta:{vdlistValues:i=[]}}=n;if(!(r&&he.has(r))||i.length===0){t.push(n);continue}let c=o?"re":"rr",f={};for(let S in u)f[S]=L(u[S]);let{z:l,maxX:d,minX:m}=s[c],p=Ne({from:m,to:d,size:l[0].length}),[g,y]=Oe(n);for(let S=0;S<i.length;S++){let h={re:p,x:p};for(let D in s)h[De(D)]=s[D].z.at(g*(S+y));t.push(N({data:h,info:{...f,name:`${f.name}_${i[S]}`,dimension:1,vd:i[S]}}))}}return t}function De(e){return["rr","re"].includes(e)?"re":["im","ri","ir","ii"].includes(e)?"im":"x"}function Oe(e){let{meta:{PAGE:t}}=e,n=!0;if(t){let r=o=>Number.parseFloat(o.replace(/[F|T]1=/,""));n=r(t[0])>r(t[2])}return n?[-1,1]:[1,0]}var Re=2,ve=1;function Ce(e){let{spectra:t=[],molecules:n}=e,r=[];for(let o of t){let{info:s}=o;switch(s.dimension){case ve:r.push(N(o));break;case Re:r.push(O(o));break;default:throw new Error("dimension does not supported")}}return{molecules:n,spectra:$(r)}}function x(e,t){return JSON.parse(JSON.stringify(e),function(r,o){if(r in t){this[t[r]]=o;return}return o})}function V(e){if(e?.version===1)return e;let t={...e,version:1},n={j:"js",signal:"signals",integral:"integration",peak:"peaks",diaID:"diaIDs"};for(let r of t.spectra){if(r.ranges){let o=x(r.ranges,n);r.ranges=Array.isArray(o)?{values:o}:o}else if(r.zones){let o=x(r.zones,n);r.zones=Array.isArray(o)?{values:o}:o}r.peaks&&(r.peaks=Array.isArray(r.peaks)?{values:r.peaks}:r.peaks),r.integrals&&(r.integrals=Array.isArray(r.integrals)?{values:r.integrals}:r.integrals)}return t}function z(e){if(e?.version===2)return e;let t={...e,version:2},n={peaks:{delta:"x",originDelta:"originalX",intensity:"y"},ranges:{atomIDs:"atoms",intensity:"y"}};for(let r of t.spectra)r.peaks?r.peaks=x(r.peaks,n.peaks):r.ranges?r.ranges=x(r.ranges,n.ranges):r.zones&&(r.zones.values=we(r.zones.values));return t}function we(e){return e.map(t=>(t.signals&&(t.signals=t.signals.map(n=>{if(n.x&&n.y){let{x:{fromTo:r,...o},y:{fromTo:s,...u}}=n;n={...n,x:{...o,...r},y:{...u,...s}}}else{let{fromTo:r,deltaX:o,resolutionX:s,nucleusX:u,deltaY:i,resolutionY:a,nucleusY:c,shiftX:f,shiftY:l,...d}=n;n={...d,x:{from:r[0].from,to:r[0].to,delta:o,resolution:s,nucleus:u},y:{from:r[1].from,to:r[1].to,delta:i,resolution:a,nucleus:c}}}return n},[])),t),[])}var Fe={name:"apodization",label:"Apodization",value:{lineBroadening:1,gaussBroadening:0,lineBroadeningCenter:0}};function B(e){if(e?.version===3)return e;let t={...e,version:3};for(let n of t.spectra)if(Array.isArray(n?.filters)&&n?.filters.length>0){let r=n.filters.findIndex(o=>o.name==="lineBroadening");if(r!==-1){let o={...n.filters[r],...Fe};n.filters[r]=n.filters[r-1],n.filters[r-1]=o}}return t}function _(e){if(e?.version===4)return e;let{version:t,...n}=e,r=[],o={};for(let{source:i,...a}of n.spectra){let c={},{info:f={},display:l={}}=a;if(f?.dimension===2&&!i?.jcampURL)if(f.isFt)c.data={rr:a.data};else continue;if(i?.jcampURL){let{jcampURL:p,jcampSpectrumIndex:g}=i,y=p.match(/(?<baseURL>^\w+:\/{2}\w+\/)(?<relativePath>.*)/);o[p]||(o[p]={baseURL:y?.groups.baseURL||"",relativePath:y?.groups.relativePath||p.replace(/^\.\//,"")}),c.sourceSelector={files:[o[p].relativePath]},g!==void 0&&(c.sourceSelector.jcamp={index:g})}c.filters=Ae(a.filters);let{name:d,...m}=l;d&&(c.info={...f,name:d}),c.display=m,r.push({...a,...c})}let s={data:{...n,spectra:r},version:4},u={entries:Object.values(o)};return u.entries.length>0&&(s.data.source=u),s}function Ae(e=[]){let t=[];for(let n of e){let{name:r,value:o}=n;switch(r){case"zeroFilling":t.push({...n,value:{nbPoints:o}});break;case"shiftX":case"shift2DX":case"shift2DY":t.push({...n,value:{shift:o}});break;default:t.push({...n})}}return t}function U(e){if(e?.version===5)return e;let t={...e,version:5},n={originFrom:"originalFrom",originTo:"originalTo",originDelta:"originalDelta",originX:"originalX",originY:"originalY",originZ:"originalZ"};for(let r of t?.data?.spectra||[])for(let o of["peaks","ranges","zones"])r?.[o]&&(r[o]=x(r[o],n));return t}function K(e){if(e?.version===6)return e;let t={...e,version:6};for(let n of t?.data?.spectra||[]){let{digitalFilter:r,fft:o,phaseCorrection:s}=Me(n);o?.flag&&r?.flag&&s&&Math.floor(r.value.digitalFilterValue)%2>0&&(s.value.ph0-=180)}return t}function Me(e,t=["phaseCorrection","fft","digitalFilter"]){let{filters:n=[]}=e,r={};for(let o of t)r[o]=n.find(s=>s.name===o);return r}function R(e,t="localStorage"){if(e?.version===7)return e;if(t==="nmrium")return q(e);let n={...e,version:7};for(let r in e.workspaces)n.workspaces[r]=q(n.workspaces[r]);return n}function q(e){let{formatting:{nuclei:t,panels:n}={nuclei:null,panels:null},version:r,...o}=e,s={...o};return t&&(s.nuclei=Te(t)),n&&(s.panels=n),s}function Te(e){let t=[],n={name:"nucleus",ppm:"ppmFormat",hz:"hzFormat"};for(let r in e)t.push(x(e[r],n));return t}function W(e){if(e?.version===7)return e;let t={...e,version:7};return t?.settings&&(t.settings=R(t.settings,"nmrium")),t}function v(e,t="localStorage"){if(e?.version===8)return e;if(t==="nmrium")return J(e);let n={...e,version:8};for(let r in e.workspaces)n.workspaces[r]=J(n.workspaces[r]);return n}function J(e){let{version:t,...n}=e,r={...n};return r.display.panels=Ee(e),r}function Ee(e){let t={},n=e.display.panels;for(let r of Object.keys(n)){let{display:o,open:s}=n[r];t[r]={display:o,visible:o,open:s}}return t}function X(e){if(e?.version===8)return e;let t={...e,version:8};t?.settings&&(t.settings=v(t.settings,"nmrium"));for(let n of t?.data?.spectra||[]){let{filters:r=[]}=n;for(let i=0;i<r.length;i++){let{flag:a,isDeleteAllow:c,label:f,...l}=r[i];r[i]={...l,enabled:a}}let o=r.findIndex(i=>i.name==="apodization");if(o!==-1){let i=r[o],{lineBroadening:a,gaussBroadening:c,lineBroadeningCenter:f}=i.value;i.value={exponential:{apply:!0,options:{lineBroadening:c>0?-a:a}}},c>0&&(i.value.gaussian={apply:!0,options:{lineBroadening:.6*c,lineBroadeningCenter:f}}),r[o]=i}let s=r.findIndex(i=>i.name==="apodizationDimension1"),u=r.findIndex(i=>i.name==="apodizationDimension2");if(s!==-1){let i=r[s],{shapes:a}=i.value.compose;i.value=H(a)}if(u!==-1){let i=r[u],{shapes:a}=i.value.compose;i.value=H(a)}}return t}function H(e){let t={};for(let{shape:n}of e){let{kind:r,options:o}=n;if(r==="sineBell"){let{exponent:s,offset:u}=o,i=s===2?"sineSquare":"sineBell";t[i]={apply:!0,options:{offset:u}}}}return t}function Y(e){let{version:t,plugins:n,...r}=e;return t===9?e:{version:9,plugins:{},...r}}var ke=[V,z,B,_,U,K,W,X,Y];function Q(e,t,n){let r=structuredClone(e),o=Object.entries(e?.plugins??{});for(let[i,{version:a}]of o){let c=n.get(i);if(!(c&&c.version>=a)){if(c){console.warn(`Plugin "${c.id}" is loaded with a version older (${c.version}) than the one used to save the state (${a}).
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NMRium may fail to load the state.
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Please update the plugin to the latest version.`);continue}console.warn(`Plugin "${i}@${a}" is not registered. NMRium may fail to load the state.
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Please consider open this file with the plugin installed.`)}}let s=new Set,u=()=>{let i=r.version;for(let a of n.values())for(let c of a.migrations){if(s.has(c)||i<c.minCore||c.maxCore&&i>c.maxCore)continue;if((r.plugins?.[a.id]?.version||0)===a.version)break;r=c.up(r),s.add(c)}};for(let i=e?.version||0;i<t;i++){let a=
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+
Please consider open this file with the plugin installed.`)}}let s=new Set,u=()=>{let i=r.version;for(let a of n.values())for(let c of a.migrations){if(s.has(c)||i<c.minCore||c.maxCore&&i>c.maxCore)continue;if((r.plugins?.[a.id]?.version||0)===a.version)break;r=c.up(r),s.add(c)}};for(let i=e?.version||0;i<t;i++){let a=ke[i];r=a(r),u()}u(),r.plugins||(r.plugins={});for(let i of n.values())r.plugins?.[i.id]||(r.plugins[i.id]={id:i.id,version:i.version}),r.plugins[i.id].id=i.id,r.plugins[i.id].version=i.version;return r}import{FileCollection as Ke}from"filelist-utils";var ee={SDF:"sdf",MOL:"mol",NMRIUM:"nmrium",JSON:"json",JCAMP:"jcamp",DX:"dx",JDX:"jdx",JDF:"jdf",NMREDATA:"nmredata",SMILES:"smiles",SMI:"smi"};function C(e){return e.includes(".")?e.replace(/^.*\./,"").toLowerCase():""}function F(e,t={},n){let{data:r,...o}=e;if(!r)return e;let{spectra:s=[]}=r,{keep1D:u=!0,keep2D:i=!0,onlyReal:a}=t,c=a?"ft":t.dataSelection||"both",f=[];for(let l of s){if(!l.info){f.push(l);continue}let{isFid:d,dimension:m,name:p}=l.info;if(!w(m===1&&!u,p,n)&&!w(m===2&&!i,p,n)&&!w(d&&c==="ft",p,n)&&!w(!d&&c==="fid",p,n))if(a&&!d)if(l.info.isComplex=!1,Ie(l)){let{rr:g}=l.data;f.push({...l,data:{rr:g}})}else{let{re:g,x:y}=l.data;f.push({...l,data:{re:g,x:y}})}else f.push(l)}return{data:{...r,spectra:f},...o}}function w(e,t,n){return e?(n?.warn(`Skipping ${t} because it didn't match the import filters.`),!0):!1}function Ie(e){let{info:t}=e;return t?.dimension===2}function A(e){let{nmriumState:t,plugins:n,options:r}=e;for(let o of n.values()){let s=o.onReadProcess?.onProcessing;s&&s(t,r)}}async function M(e,t,n={}){let{sourceSelector:r,converter:o,keepSource:s,logger:u}=n,i=[],a=[];for(let m of t.values()){let{onReadProcess:p}=m;p&&(p?.onFiles&&i.push(m),p?.supportedExtensions?.length&&p?.onFile&&a.push(m))}let c=await Promise.allSettled(i.map(m=>m.onReadProcess.onFiles(e,n))),f=[],l=await Promise.allSettled(e.files.flatMap(m=>{let p=C(m.name).toLowerCase();return a.flatMap(g=>{let{supportedExtensions:y,onFile:S}=g.onReadProcess;return y.includes(p)?(f.push({file:m,plugin:g}),S(m,{logger:u,sourceSelector:r,converter:o,keepSource:s})):[]})})),d={spectra:[],molecules:[]};for(let m=0;m<c.length;m++){let p=c[m];switch(p.status){case"fulfilled":{let{spectra:g=[],molecules:y=[]}=p.value||{};d.spectra.push(...g),d.molecules.push(...y);break}case"rejected":{let g=p.reason,y=i[m];n.logger?.error(`Load file collection with plugin ${y.id}@${y.version} fails with: ${g}`);break}}}for(let m=0;m<l.length;m++){let p=l[m];switch(p.status){case"fulfilled":{let{spectra:g=[],molecules:y=[]}=p.value||{};d.spectra.push(...g),d.molecules.push(...y);break}case"rejected":{let g=p.reason,{file:y,plugin:S}=f[m];n.logger?.error(`Load file ${y.relativePath} with plugin ${S.id}@${S.version} fails with: ${g}`);break}}}return d}import{fileCollectionFromZip as Be}from"filelist-utils";import{fileCollectionFromWebSource as je}from"filelist-utils";import te from"lodash.merge";import{xIsEquallySpaced as Le}from"ml-spectra-processing";async function T(e){let{nmriumObjectInput:t,options:n={},migrator:r,plugins:o}=e,s=r(t),{data:u,...i}=s;if(!u)return{...i};let a={data:{...u,spectra:[]},...i},c=a.data,{source:f,spectra:l,molecules:d}=c,m;f&&(m=await je(f,{unzip:{zipExtensions:["zip","nmredata"]}}));let p=[];for(let g of u.spectra)if(m){let{sourceSelector:y}=g,S=E({input:m,migrator:r,plugins:o,options:{...n,sourceSelector:y}}).then(h=>{let{nmriumState:{data:D}}=h,{spectra:se=[],molecules:Z=[]}=D||{};Z.length>0&&d.length===0&&d.push(...Z);for(let ae of se)l.push(Ve(g,ze(ae)))});p.push(S)}else{let{dimension:y}=g.info;if(y===1){if(!Le(g.data)){n.logger?.error('The ".nmrium" file is corrupted; the X-axis values are not equally distant.');continue}l.push(N(g))}else y===2&&l.push(O(g))}return await Promise.allSettled(p),a}function Ve(e,t){let{data:n,...r}=e;if("ranges"in t){let{data:o,...s}=t;return{...te(s,r),data:o}}else if("zones"in t){let{data:o,...s}=t;return{...te(s,r),data:o}}else return t}function ze(e){return{...e,id:b()}}async function re(e){let{file:t,options:n={},migrator:r,plugins:o}=e,s=await t.arrayBuffer(),u=await(Ue(s)?_e(s):t.text());return T({nmriumObjectInput:JSON.parse(u),plugins:o,migrator:r,options:n})}async function _e(e){let t=await Be(e);if(t.files.length===0)throw new Error("compressed nmrium file is corrupted");return t.files[0].text()}function Ue(e){if(e.byteLength<4)return!1;let t=new Uint8Array(e);return t[0]===80&&t[1]===75&&(t[2]===3||t[2]===5||t[2]===7)&&(t[3]===4||t[3]===6||t[3]===8)}async function E(e){let{options:t={},input:n,migrator:r,plugins:o}=e,s=Ye(We(n),t.sourceSelector?.files),u=Ge(s);if(u)return{nmriumState:await re({file:u,migrator:r,plugins:o,options:t}),containsNmrium:!0};let i=await M(s,o,t),a=F({version:9,data:i},t?.sourceSelector?.general,t.logger),{onLoadProcessing:c,experimentalFeatures:f}=t,l={...c,autoProcessing:c?.autoProcessing??!1,experimentalFeatures:f};return A({nmriumState:a,plugins:o,options:l}),{nmriumState:a,containsNmrium:!1}}function We(e){if(Array.isArray(e))throw new Error("For a set of fileCollectionItems pass a FileCollection instance");return Xe(e)?e:new Ke([e])}function Xe(e){return typeof e=="object"&&"files"in e}function Ye(e,t){return t?e.filter(n=>t.includes(n.relativePath)):e}function Ge(e){return e.files.find(t=>C(t.name).toLowerCase()===ee.NMRIUM)}function k(e,t){let n={};for(let r in e)t.includes(r)||(n[r]=e[r]);return n}var Ze=["data","originalData","info","originalInfo","meta","customInfo"],$e=["sourceSelector","originalData","originalInfo"];function ne(e,t={}){let{version:n,data:r}=e;if(r.actionType)return e;let o={version:n,plugins:e.plugins},{includeData:s}=t;s!=="noData"&&(o.data=qe({...r},s));let{includeSettings:u,includeView:i}=t;return u&&(o.settings=e.settings),i&&(o.view=e.view),o}function qe(e,t="rawData"){let{spectra:n}=e;switch(t){case"dataSource":return Je(e);case"rawData":return{...k(e,["source"]),spectra:n.map(Qe)};default:return e}}function Je(e){let{spectra:t}=e;if(!e.source)throw new Error("source property should exists for dataSource serialization");return{...e,spectra:t.map(He)}}function He(e){return k(e,Ze)}function Qe(e){let{data:t,info:n,originalData:r,originalInfo:o}=e,s=k(e,$e);return s.data=r||t,s.info=o||n,s}import{fileCollectionFromWebSource as et}from"filelist-utils";async function oe(e){let{source:t,plugins:n,options:r={}}=e,{keepSource:o=!0,converter:s,...u}=r,i={source:t,spectra:[],molecules:[]},a=await et(t,{unzip:{zipExtensions:["zip","nmredata"]}}),{spectra:c=[],molecules:f=[]}=await M(a,n,{keepSource:o,converter:{...s,bruker:{keepFiles:!0,...Reflect.get(s??{},"bruker")}},...u});i.spectra.push(...c),i.molecules.push(...f);let l=F({version:9,data:i},r?.sourceSelector?.general),{onLoadProcessing:d}=u,m={filters:d?.filters,autoProcessing:d?.autoProcessing??!1,experimentalFeatures:r.experimentalFeatures};return A({nmriumState:l,plugins:n,options:m}),l}var G=class{version=9;plugins=new Map;registerPlugin(t){if(this.plugins.has(t.id)){console.warn(`Plugin ${t.id} is already registered. skip.`),console.debug("Plugin already registered:",this.plugins.get(t.id)),console.debug("Plugin to register:",t);return}this.plugins.set(t.id,t)}registerPlugins(t){for(let n of t)this.registerPlugin(n)}migrate(t){return Q(t,this.version,this.plugins)}read(t,n={}){return E({input:t,migrator:this.migrate.bind(this),plugins:this.plugins,options:n})}readNMRiumObject(t,n){return T({nmriumObjectInput:t,options:n,plugins:this.plugins,migrator:this.migrate.bind(this)})}readFromWebSource(t,n){return oe({source:t,options:n,plugins:this.plugins})}serializeNmriumState(t,n){return ne(t,n)}};function tt(e,t){if(t>9)return 0;let n=-1;for(let r=0;r<e.length;r++)if(e[r].version>t){n=r;break}return n}var ie=[{version:6,fun:R},{version:7,fun:v}];function rt(e){let{version:t}=e||{},n=tt(ie,t);if(n===-1)return{...e,version:9};let r=ie.slice(n);for(let o of r)e=o.fun(e);return e}export{le as ANALYSIS_COLUMN_TYPES,ce as ANALYSIS_COLUMN_VALUES_KEYS,P as CURRENT_EXPORT_VERSION,pe as EXTERNAL_API_KEYS,G as NMRiumCore,Ce as formatSpectra,b as generateID,L as getOneIfArray,rt as migrateSettings,ue as units};
|
package/package.json
CHANGED
|
@@ -1,18 +1,22 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@zakodium/nmrium-core",
|
|
3
|
-
"version": "0.1.
|
|
3
|
+
"version": "0.1.3",
|
|
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",
|
|
7
7
|
"type": "module",
|
|
8
|
-
"exports":
|
|
8
|
+
"exports": {
|
|
9
|
+
".": {
|
|
10
|
+
"nmrium-internal": "./src/index.ts",
|
|
11
|
+
"default": "./dist/nmrium-core.js"
|
|
12
|
+
}
|
|
13
|
+
},
|
|
9
14
|
"files": [
|
|
10
15
|
"dist"
|
|
11
16
|
],
|
|
12
17
|
"scripts": {
|
|
13
|
-
"api-extractor": "api-extractor run --local",
|
|
14
18
|
"bundle": "node scripts/esbuild.js && npm run bundle-types",
|
|
15
|
-
"bundle-types": "npm run tsc &&
|
|
19
|
+
"bundle-types": "npm run tsc && yarn g:api-extractor",
|
|
16
20
|
"clean": "rimraf types dist coverage",
|
|
17
21
|
"dev:eslint-fix": "eslint --cache --fix $(git diff --name-only --relative) --quiet",
|
|
18
22
|
"prepack": "npm run clean && npm run bundle",
|
|
@@ -21,13 +25,13 @@
|
|
|
21
25
|
"tsc": "tsc --project tsconfig.types.json"
|
|
22
26
|
},
|
|
23
27
|
"devDependencies": {
|
|
24
|
-
"@microsoft/api-extractor": "^7.52.7",
|
|
25
28
|
"@types/lodash.merge": "^4.6.9",
|
|
26
|
-
"@types/node": "^22.15.
|
|
27
|
-
"
|
|
29
|
+
"@types/node": "^22.15.31",
|
|
30
|
+
"@zakodium/nmr-types": "^0.0.1",
|
|
31
|
+
"esbuild": "^0.25.5",
|
|
28
32
|
"jest-matcher-deep-close-to": "^3.0.2",
|
|
29
33
|
"rimraf": "^6.0.1",
|
|
30
|
-
"vitest": "^3.
|
|
34
|
+
"vitest": "^3.2.3"
|
|
31
35
|
},
|
|
32
36
|
"dependencies": {
|
|
33
37
|
"cheminfo-types": "^1.8.1",
|
|
@@ -36,8 +40,7 @@
|
|
|
36
40
|
"is-any-array": "^2.0.1",
|
|
37
41
|
"lodash.merge": "^4.6.2",
|
|
38
42
|
"ml-spectra-processing": "^14.12.0",
|
|
39
|
-
"nmr-correlation": "^2.3.5"
|
|
40
|
-
"nmr-processing": "^18.0.2"
|
|
43
|
+
"nmr-correlation": "^2.3.5"
|
|
41
44
|
},
|
|
42
45
|
"volta": {
|
|
43
46
|
"extends": "../../../package.json"
|