@av-pi-studio/web-client 0.0.117 → 0.0.119

package/dist/web/assets/{vendor-molviewer-DeAF8d5d.js → vendor-molviewer-7FbONJs2.js}

@@ -1,4 +1,4 @@
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LY(e){const t=(e.split(".")[0]??"").trim();return t&&ou(t)>0?t:null}function NY(e){const t=parseInt(e,10);return Number.isFinite(t)&&t>=1&&t<=3?t:1}const OY={meta:{id:"lammps-data",name:"LAMMPS data",extensions:[".data",".lmp",".lammps"],kind:"both"},sniff(e,t){return/^\s*\d+\s+atoms\b/m.test(t)&&/^\s*\d+\s+atom types\b/m.test(t)?.9:/LAMMPS data file/i.test(t)?.7:0},async read(e,t){t.setSourceFormat("lammps-data"),t.setUnits("angstrom");const r=(await e.text()).split(/\r?\n/),n=String.raw`[-+]?[\d.]+(?:[eE][-+]?\d+)?`,a={};let o=[0,0,0];for(const h of r){const y=h.trim().match(new RegExp(String.raw`^(${n})\s+(${n})\s+([xyz])lo\s+\3hi`));if(y){a[y[3]]=[parseFloat(y[1]),parseFloat(y[2])];continue}const g=h.trim().match(new RegExp(String.raw`^(${n})\s+(${n})\s+(${n})\s+xy\s+xz\s+yz`));g&&(o=[parseFloat(g[1]),parseFloat(g[2]),parseFloat(g[3])])}if(a.x&&a.y&&a.z){const h=b=>a[b][1]-a[b][0],[y,g,x]=o;t.setCell(Ls(new 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k.some(R=>B.endsWith(R))}),h=f(["type_symbol"]),y=f(["label_atom_id","label",".id"]),g=f(["fract_x"]),x=f(["fract_y"]),b=f(["fract_z"]),C=f(["cartn_x"]),S=f(["cartn_y"]),A=f(["cartn_z"]),E=g>=0&&x>=0&&b>=0,T=E?g:C,P=E?x:S,M=E?b:A;if(T<0||P<0||M<0)throw new Error("CIF: atom_site has no fract_* or Cartn_* coordinates");if(E&&!c)throw new Error("CIF: fractional coordinates but no cell to convert them");for(const k of p){if(k.length<=T)continue;let D=parseFloat(Fw(k[T])),B=parseFloat(Fw(k[P])),R=parseFloat(Fw(k[M]));if(![D,B,R].every(Number.isFinite))continue;if(E){const H=Hi([D,B,R],c);D=H[0],B=H[1],R=H[2]}const F=h>=0?k[h]??"":"",N=(y>=0?k[y]:void 0)??F??"X";F&&/^[A-Za-z]{1,2}$/.test(F)?t.addAtom(N,D,B,R,{element:F}):t.addAtom(N,D,B,R)}}};function UY(e){const t=[],r=/'([^']*)'|"([^"]*)"|(\S+)/g;let n;for(;n=r.exec(e);)t.push(n[1]??n[2]??n[3]??"");return t}function Fw(e){return e.replace(/\(\d+\)\s*$/,"")}const VY={meta:{id:"poscar",name:"VASP 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m,f;if(p?(m=d,f=(r[6]??"").trim().split(/\s+/).map(x=>parseInt(x,10)),c=7):(m=n.trim().split(/\s+/).filter(x=>ou(x)>0),f=d.map(x=>parseInt(x,10)),c=6),f.some(x=>!Number.isFinite(x))||f.length===0)throw new Error("POSCAR: bad atom counts");m.length!==f.length&&t.note({source:"poscar",kind:"element",severity:"warning",message:`element list (${m.length}) doesn't match species count (${f.length}); elements may be wrong`}),/^\s*s/i.test(r[c]??"")&&c++;const h=(r[c]??"").trim(),y=/^[ck]/i.test(h);c++;const g=[];for(let x=0;x<f.length;x++){const b=m[x]??"X";for(let C=0;C<f[x];C++)g.push(b)}for(let x=0;x<g.length;x++){const b=(r[c+x]??"").trim().split(/\s+/).map(Number);if(b.length<3||b.slice(0,3).some(T=>!Number.isFinite(T)))break;let C=b[0],S=b[1],A=b[2];if(y)C*=a,S*=a,A*=a;else{const T=Hi([C,S,A],u);C=T[0],S=T[1],A=T[2]}const E=g[x];ou(E)>0?t.addAtom(E,C,S,A,{element:E}):t.addAtom(E,C,S,A)}t.note({source:"poscar",kind:"cell",severity:"info",message:`VASP ${p?"v5":"v4"} POSCAR, 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package/dist/web/assets/{vendor-overlays-SaWbfdX8.js → vendor-overlays-DjMT65Ip.js}

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