@zakodium/nmrium-core-plugins 0.6.0 → 0.6.2

package/dist/nmrium-core-plugins.js

@@ -1,6 +1,6 @@
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o.length>0&&o!=="undefined"?o:e.dimension?`${e.dimension}d`:""}import{getOneIfArray as Dt}from"@zakodium/nmrium-core";var ai=["no","exponential","modifiedGaussian","sine","qsine","trap","user","sinc","qsinc","traf","trafs"];function ci(e){return e in At}function qe(e,t){let{prefix:r="",index:n=0}=t,i=Dt(e[`${r}WDW`],n),o=ai[i?Number(i):0],s={};if(!ci(o))return s;let a=At[o];if(a){let{kind:c,parameters:l}=a,m={};for(let u in l){let f=l[u],{source:g,processor:y}=f;if(g){let p=Dt(e[`${r}${g}`],n),h=Number.parseFloat(String(p));if(Number.isNaN(h))continue;m[u]=y?y(h):h}else f.value!==void 0&&(m[u]=f.value)}s[c]={apply:!0,options:m}}return s}var 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yi(e,t){let{filter:r,experimentalFeatures:n=!1}=t,{name:i}=r;({...fi,...di})[i]&&(e.some(s=>s.name===i)||gi.has(i)&&!n||e.push({...r,enabled:!0}))}function Et(e,t={}){let{data:r}=e;if(!r)return;let{autoProcessing:n,experimentalFeatures:i}=t,o=(a,c)=>yi(a,{...c,experimentalFeatures:i}),{spectra:s}=r;for(let a of s){let{data:c,info:l,meta:m,filters:u}=a,{dimension:f,isFid:g}=l;if(g){if(f===1){let y=c.re.length,{tdOff:p,digitalFilter:h}=l;if(h&&h>0&&o(u,{filter:{name:"digitalFilter",value:{digitalFilterValue:h}}}),!n)continue;p&&Math.abs(p)>0&&o(u,{filter:{name:"backwardLinearPrediction",value:{nbInputs:y/2}}}),o(u,{filter:{name:"apodization",value:{exponential:{apply:!0,options:{lineBroadening:1}}}}}),o(u,{filter:{name:"zeroFilling",value:{nbPoints:2*y}}}),o(u,{filter:{name:"fft",value:{}}}),o(u,{filter:{name:"phaseCorrection",value:hi(l)}}),u.sort((d,b)=>W[d.name]-W[b.name])}else if(f===2){if(!n)continue;let 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","").split(",")[0]:t.LAST;P(e,"acquisitionTime",a)}if(!e.acquisitionTime&&C(["numberOfPoints","spectralWidth"],e)){let{spectralWidth:a,originFrequency:c,numberOfPoints:l}=e;D(e,"acquisitionTime",(l[0]-1)/(2*a[0]*c[0]))}if(t[`${n}P`]){let a=1e6/(nr(t[`${n}P`]).split(r.separator||`
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 `)[1].split(" ")[1];P(e,"relaxationTime",a)}if(P(e,"numberOfScans",t[`${n}NS`]||t[`${n}QM_NSCANS`]),D(e,"groupDelay",t[`${n}GRPDLY`]),D(e,"dspfvs",t[`${n}DSPFVS`]),D(e,"decim",t[`${n}DECIM`]),e.isFid&&("groupDelay"in e||C(["dspfvs","decim"],e))){let{groupDelay:a,dspfvs:c,decim:l}=e,m=rr(a?.[0]??0,c?.[0],l?.[0]);D(e,"digitalFilter",m)}if(C(["numberOfPoints","spectralWidth"],e)){let{spectralWidth:a,numberOfPoints:c}=e,l=c.map((m,u)=>e.isFid?e.acquisitionTime[0]/(m-1):a[u]/(m-1));D(e,"increment",l)}}function $(e,t=","){if(e&&typeof e=="string")return e.split(t)}function or(e,t,r){let{prefix:n=""}=r,i=e.dimension<2,o=e.dataClass?.[0].toUpperCase()==="NTUPLES",s=C(["LAST","FIRST","VARDIM","SYMBOL"],t,n);if(i&&(o||s)&&(D(e,"last",$(t[`${n}LAST`])),D(e,"first",$(t[`${n}FIRST`])),D(e,"varDim",$(t[`${n}VARDIM`])),D(e,"symbols",$(t[`${n}SYMBOL`])),e.symbols&&Array.isArray(e.symbols))){e.symbols.includes("R")&&e.symbols.includes("I")&&(e.isComplex=!0);let a=e.symbols.findIndex(c=>c.toLowerCase()==="x");if(P(e,"firstX",e.first[a]),P(e,"lastX",e.last[a]),P(e,"numberOfPoints",e.varDim[a]),!("spectralWidth"in e)){let{lastX:c,numberOfPoints:l,firstX:m,originFrequency:u}=e;D(e,"spectralWidth",e.isFid?ne([l,c],f=>f[0]/(2*f[1])):ne([c,m,u],f=>Math.abs(f[0]-f[1])/f[2]))}}}import{normalizeNucleus as uo}from"nmr-processing";function Fe(e,t,r){let n=[];if(e[`${r}AXNUC`]&&(n=e[`${r}AXNUC`],Array.isArray(n)||(n=[n]),n=v(n)),n.length===0&&e[`${r}NUC1`]&&(n=e[`${r}NUC1`],Array.isArray(n)||(n=[n]),n=v(n)),n.length===0&&e[".NUCLEUS"]){let i=$(e[".NUCLEUS"]);if(e[`${r}SYMBOL`]){let o=e[`${r}SYMBOL`].split(","),s=o.findIndex(c=>c.includes("2")),a=o.findIndex(c=>c.includes("1"));s!==-1&&a!==-1&&i?n=v([i[s],i[a]]):n=v(i).toReversed()}else n=v(i)}return n.length===0&&e[".OBSERVENUCLEUS"]&&(n=v([e[".OBSERVENUCLEUS"]])),n.length===0&&t.experiment&&(n=v(sr(t.experiment[0]))),po(e)&&(n=[e["2D_X_NUCLEUS"].replaceAll(/[^A-Za-z0-9]/g,""),e["2D_Y_NUCLEUS"].replaceAll(/[^A-Za-z0-9]/g,"")]),t.experiment&&(t.experiment[0].match("jres")||t.experiment[0].match("dosy"))&&(n=sr(t.experiment[0])),n.map(uo)}function po(e){return e["2D_X_NUCLEUS"]&&!e["2D_X_NUCLEUS"].includes("off")&&e["2D_Y_NUCLEUS"]&&!e["2D_Y_NUCLEUS"].includes("off")}function sr(e){return typeof e!="string"?[]:(e=e.toLowerCase(),e.includes("jres")?["1H","Hz"]:e.includes("dosy")?["1H","D"]:e.includes("hmbc")||e.includes("hsqc")?["1H","13C"]:e.includes("cosy")||e.includes("tocsy")?["1H","1H"]:[])}function v(e){if(!e)return[];let t=e.map(n=>String(n).replaceAll(/[^A-Za-z0-9]/g,"").replace("NA","").replace("off","")),r=0;for(let n of t)n||r++;return r===0?t:[]}function ar(e,t,r){let{logger:n,prefix:i=""}=r;if(e.nucleus=Fe(t,e,i),e.nucleus.length===0)if(n)n.warn("No nucleus detected, assuming 1H"),e.nucleus=["1H"];else throw new Error("No nucleus detected");e.dimension=e.nucleus.length}function cr(e,t,r={}){let{prefix:n="",separator:i=`
 `}=r;D(e,"spectralWidth",t[`${n}SweepWidth`]/e.originFrequency[0]);let o=t[`${n}.PULSESEQUENCE`].split(i),s=[];t[".OBSERVENUCLEUS"]&&s.push(t[".OBSERVENUCLEUS"]),t.INDIRECTNUCLEUS&&s.push(t.INDIRECTNUCLEUS),e.nucleus=v(s),e.pulseSequence=o[0];let a=o.slice(2,-1);if(s.length>1)if(s[0]===s[1])e.spectralWidth.push(e.spectralWidth[0]);else{let c=JSON.stringify(a).match(/\$\$SW1=\s*(?<sw>[+-]?(?:[0-9]*[.])?[0-9]+)/);if(c?.groups){let{originFrequency:l}=e,m=Number.parseFloat(c.groups.sw);e.spectralWidth.push(m/l[1])}}}function xe(e,t={}){let{prefix:r="",logger:n}=t,i={creator:Kt(e),dimension:0,nucleus:[],isFid:!1,isFt:!1},o=JSON.stringify(e),s=/\r\n/.exec(o)?`\r

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "@zakodium/nmrium-core-plugins",
-  "version": "0.6.0",
+  "version": "0.6.2",
   "description": "Recommended plugins for NMRium, loaders of common formats like bruker or jcamp, and some post-processing plugins",
   "author": "Zakodium Sàrl",
   "license": "CC-BY-NC-SA-4.0",
@@ -30,7 +30,7 @@
     "@types/node": "^24.9.1",
     "@zakodium/bruker-parser": "^0.0.0",
     "@zakodium/jeol-parser": "^0.0.0",
-    "@zakodium/nmr-types": "^0.4.0",
+    "@zakodium/nmr-types": "^0.4.1",
     "@zakodium/nmredata": "^0.0.0",
     "@zakodium/varian-parser": "^0.0.0",
     "bruker-data-test": "^1.0.0",
@@ -47,7 +47,7 @@
   },
   "dependencies": {
     "@date-fns/utc": "^2.1.1",
-    "@zakodium/nmrium-core": "^0.4.3",
+    "@zakodium/nmrium-core": "^0.4.5",
     "cheminfo-types": "^1.8.1",
     "convert-to-jcamp": "^6.0.0",
     "date-fns": "^4.1.0",
@@ -58,7 +58,7 @@
     "linear-sum-assignment": "^1.0.9",
     "lodash.merge": "^4.6.2",
     "ml-spectra-processing": "^14.18.0",
-    "nmr-processing": "^21.0.0",
+    "nmr-processing": "^21.0.1",
     "openchemlib": "^9.12.1",
     "openchemlib-utils": "^8.7.0",
     "sdf-parser": "^7.0.4"
@@ -66,5 +66,5 @@
   "volta": {
     "extends": "../../../package.json"
   },
-  "gitHead": "4ed09ba2df08fb32b2297a7790e61bdf194dbbe9"
+  "gitHead": "6de71fb37d2c644eb17cab7c135eab2703ab926d"
 }