openchemlib
Version:
Manipulate molecules
75 lines (70 loc) • 599 kB
JavaScript
/**
* openchemlib - Manipulate molecules
* @version v8.19.0
* @date 2025-03-14T08:06:29.814Z
* @link https://github.com/cheminfo/openchemlib-js
* @license BSD-3-Clause
*/
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f9.Ud;e.a=b.a;e.c=b.c;e.b=(b.a+b.b)/2;e.d=(b.c+b.d)/2;f.a=e.b;f.c=e.d;f.b=b.b;f.d=b.d;if(f9.Id(a,e)){f9.Md(a,a.p[c]);g=mab+b9.eV(x9.oX(x9.kX(new x9.pX(e.a),(x9.sZ(),x9.oZ))))+nab+oab+b9.eV(x9.oX(x9.kX(new x9.pX(e.c),x9.oZ)))+nab+pab+b9.eV(x9.oX(x9.kX(new x9.pX(e.b),x9.oZ)))+nab+qab+b9.eV(x9.oX(x9.kX(new x9.pX(e.d),x9.oZ)))+nab+rab+a.d+nab+sab+a.j+tab;f9.os(a,g)}if(f9.Id(a,f)){f9.Md(a,a.p[d]);g=mab+b9.eV(x9.oX(x9.kX(new x9.pX(f.a),(x9.sZ(),x9.oZ))))+nab+oab+b9.eV(x9.oX(x9.kX(new x9.pX(f.c),x9.oZ)))+nab+pab+b9.eV(x9.oX(x9.kX(new x9.pX(f.b),x9.oZ)))+nab+qab+b9.eV(x9.oX(x9.kX(new x9.pX(f.d),x9.oZ)))+nab+rab+a.d+nab+sab+a.j+tab;f9.os(a,g)}f9.Md(a,a.P)};f9.$c=function $c(a,b,c,d){var e,f,g,h,i,j,k,l,m;l=(b.b-b.a)/10;m=(b.d-b.c)/10;e=new f9.Ud;if(f9.Ik(a.K,f9.Ym(a.K,c,d))){f=-3;g=-3}else{f=a.p[c];g=a.p[d]}f9.Md(a,f);e.a=b.a;e.c=b.c;e.b=b.a+l*2;e.d=b.c+m*2;i=mab+b9.eV(x9.oX(x9.kX(new x9.pX(e.a),(x9.sZ(),x9.oZ))))+nab+oab+b9.eV(x9.oX(x9.kX(new x9.pX(e.c),x9.oZ)))+nab+pab+b9.eV(x9.oX(x9.kX(new 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c,d;for(d=0;d<a.Z.a.length;d++)a.v=m9.Fx(a.v,g9.ei(a.Z,d));f9.fd(a,b);c=0.1*b;a.v.c-=c;a.v.d-=c;a.v.b+=2*c;a.v.a+=2*c};
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f9.Ud;for(d=0;d<a.K.p;d++){b=f9.ck(a.K,0,d);c=f9.ck(a.K,1,d);if(f9.Gk(a.K,d)){e.a=f9.lh(a.Q,f9.Wj(a.K,b));e.c=f9.mh(a.Q,f9.Xj(a.K,b));e.b=f9.lh(a.Q,f9.Wj(a.K,c));e.d=f9.mh(a.Q,f9.Xj(a.K,c));f9.Md(a,-2);f=mab+b9.eV(x9.oX(x9.kX(new x9.pX(e.a),(x9.sZ(),x9.oZ))))+nab+oab+b9.eV(x9.oX(x9.kX(new x9.pX(e.c),x9.oZ)))+nab+pab+b9.eV(x9.oX(x9.kX(new x9.pX(e.b),x9.oZ)))+nab+qab+b9.eV(x9.oX(x9.kX(new x9.pX(e.d),x9.oZ)))+nab+rab+a.d+nab+sab+a.j+tab;f9.os(a,f)}}};f9.kd=function kd(a){var b,c,d,e,f,g,h;if(a.K.I){g=a.V;f9.Md(a,-7);for(b=0;b<a.K.d;b++)_S(GS(f9.Uj(a.K,b),vab),0)&&f9.gs(a,f9.lh(a.Q,f9.Wj(a.K,b))-g,f9.mh(a.Q,f9.Xj(a.K,b))-g,2*g);f9.js(a,2*a.V);f=new f9.Ud;for(e=0;e<a.K.p;e++){c=f9.ck(a.K,0,e);d=f9.ck(a.K,1,e);if(_S(GS(GS(f9.Uj(a.K,c),f9.Uj(a.K,d)),vab),0)){f.a=f9.lh(a.Q,f9.Wj(a.K,c));f.c=f9.mh(a.Q,f9.Xj(a.K,c));f.b=f9.lh(a.Q,f9.Wj(a.K,d));f.d=f9.mh(a.Q,f9.Xj(a.K,d));h=mab+b9.eV(x9.oX(x9.kX(new x9.pX(f.a),(x9.sZ(),x9.oZ))))+nab+oab+b9.eV(x9.oX(x9.kX(new 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