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molstar-partial-charges

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"0" : "") + x; } function S(x) { const A = x.getHours(), T = x.getMinutes(), M = x.getSeconds(); return `${A}:${P(T)}:${P(M)}`; } function _(x) { const A = x.root.progress; if (A.isIndeterminate) return A.message; const T = (100 * A.current / A.max).toFixed(2); return `${A.message} ${T}%`; } function C(x) { const A = ["B", "KB", "MB", "GB", "TB", "PB", "EB", "ZB", "YB"], T = Math.floor(Math.log(x) / Math.log(1024)); return `${(x / Math.pow(1024, T)).toFixed(2)} ${A[T]}`; } }(_I)), _I; } var SI = {}, Ti = {}, CI = {}, xs = {}, Qg = {}, PI = {}, i5; function Jr() { return i5 || (i5 = 1, function(e) { Object.defineProperty(e, "__esModule", { value: !0 }), e.PiDiv180 = e.halfPI = void 0, e.degToRad = t, e.radToDeg = r, e.isPowerOfTwo = n, e.absMax = i, e.arcLength = s, e.spiral2d = a, e.halfPI = Math.PI / 2, e.PiDiv180 = Math.PI / 180; function t(c) { return c * e.PiDiv180; } function r(c) { return c / e.PiDiv180; } function n(c) { return c !== 0 && (c & c - 1) === 0; } function i(...c) { let m = 0, u = 0; for (let l = 0, y = c.length; l < y; ++l) { const p = c[l], o = Math.abs(p); o > u && (m = p, u = o); } return m; } function s(c, m) { return c * m; } function a(c) { let m = 0, u = 0, l = 0, y = -1; const p = c * 2 + 1, o = p / 2, f = []; for (let d = Math.pow(p, 2); d > 0; --d) { if (-o < m && m <= o && -o < u && u <= o && f.push([m, u]), m === u || m < 0 && m === -u || m > 0 && m === 1 - u) { const v = l; l = -y, y = v; } m += l, u += y; } return f; } }(PI)), PI; } var Yg = {}, ro = {}, o5; function Zr() { if (o5) return ro; o5 = 1, Object.defineProperty(ro, "__esModule", { value: !0 }), ro.normalize = e, ro.clamp = t, ro.pclamp = r, ro.saturate = n, ro.damp = i, ro.lerp = s, ro.spline = a, ro.quadraticBezier = c, ro.smoothstep = m, ro.smootherstep = u, ro.smootheststep = l, ro.almostIdentity = y; function e(p, o, f) { return (p - o) / (f - o); } function t(p, o, f) { return Math.max(o, Math.min(f, p)); } function r(p) { return t(p, 0, 100); } function n(p) { return t(p, 0, 1); } function i(p, o) { const f = p * o; return Math.abs(f) < 0.1 ? 0 : f; } function s(p, o, f) { return p + (o - p) * f; } function a(p, o, f, d, v, h) { const g = (f - p) * h, b = (d - o) * h, P = v * v, S = v * P; return (2 * o - 2 * f + g + b) * S + (-3 * o + 3 * f - 2 * g - b) * P + g * v + o; } function c(p, o, f, d) { const v = 1 - d; return v * v * p + 2 * v * d * o + d * d * f; } function m(p, o, f) { return f = n(e(f, p, o)), f * f * (3 - 2 * f); } function u(p, o, f) { return f = n(e(f, p, o)), f * f * f * (f * (f * 6 - 15) + 10); } function l(p, o, f) { return f = n(e(f, p, o)), -20 * Math.pow(f, 7) + 70 * Math.pow(f, 6) - 84 * Math.pow(f, 5) + 35 * Math.pow(f, 4); } function y(p, o, f) { if (p > o) return p; const d = 2 * f - o, v = 2 * o - 3 * f, h = p / o; return (d * h + v) * h * h + f; } return ro; } var a5; function ZO() { if (a5) return Yg; a5 = 1, Object.defineProperty(Yg, "__esModule", { value: !0 }), Yg.Lab = i; const e = Vo(), t = JO(), r = Jr(), n = Zr(); function i() { return i.zero(); } return function(s) { function a() { const V = [0.1, 0, 0]; return V[0] = 0, V; } s.zero = a; function c(V, B, k) { const L = a(); return L[0] = V, L[1] = B, L[2] = k, L; } s.create = c; function m(V, B, k, L) { return V[0] = B, V[1] = k, V[2] = L, V; } s.set = m; function u(V, B) { const k = B[0] - V[0], L = B[1] - V[1], G = B[2] - V[2]; return Math.sqrt(k * k + L * L + G * G); } s.distance = u; function l(V, B) { const [k, L, G] = e.Color.toRgb(B), [U, j, N] = R(k, L, G), F = 116 * j - 16; return V[0] = F < 0 ? 0 : F, V[1] = 500 * (U - j), V[2] = 200 * (j - N), V; } s.fromColor = l; function y(V, B) { return t.Hcl.toLab(V, B); } s.fromHcl = y; function p(V) { let B = (V[0] + 16) / 116, k = isNaN(V[1]) ? B : B + V[1] / 500, L = isNaN(V[2]) ? B : B - V[2] / 200; B = _ * I(B), k = S * I(k), L = C * I(L); const G = D(3.2404542 * k - 1.5371385 * B - 0.4985314 * L), U = D(-0.969266 * k + 1.8760108 * B + 0.041556 * L), j = D(0.0556434 * k - 0.2040259 * B + 1.0572252 * L); return e.Color.fromRgb(Math.round((0, n.clamp)(G, 0, 255)), Math.round((0, n.clamp)(U, 0, 255)), Math.round((0, n.clamp)(j, 0, 255))); } s.toColor = p; function o(V, B) { const [k, L, G] = B, U = Math.sqrt(L * L + G * G); let j = ((0, r.radToDeg)(Math.atan2(G, L)) + 360) % 360; return Math.round(U * 1e4) === 0 && (j = Number.NaN), V[0] = j, V[1] = U, V[2] = k, V; } s.toHcl = o; function f(V, B) { return V[0] = B[0], V[1] = B[1], V[2] = B[2], V; } s.copy = f; function d(V, B, k) { return V[0] = B[0] - P * k, V[1] = B[1], V[2] = B[2], V; } s.darken = d; function v(V, B, k) { return d(V, B, -k); } s.lighten = v; const h = [0, 0, 0]; function g(V, B, k) { return o(h, B), t.Hcl.toLab(V, t.Hcl.saturate(h, h, k)); } s.saturate = g; function b(V, B, k) { return g(V, B, -k); } s.desaturate = b; const P = 18, S = 0.95047, _ = 1, C = 1.08883, x = 0.137931034, A = 0.206896552, T = 0.12841855, M = 8856452e-9; function D(V) { return 255 * (V <= 304e-5 ? 12.92 * V : 1.055 * Math.pow(V, 1 / 2.4) - 0.055); } function I(V) { return V > A ? V * V * V : T * (V - x); } function w(V) { return (V /= 255) <= 0.04045 ? V / 12.92 : Math.pow((V + 0.055) / 1.055, 2.4); } function E(V) { return V > M ? Math.pow(V, 1 / 3) : V / T + x; } function R(V, B, k) { V = w(V), B = w(B), k = w(k); const L = E((0.4124564 * V + 0.3575761 * B + 0.1804375 * k) / S), G = E((0.2126729 * V + 0.7151522 * B + 0.072175 * k) / _), U = E((0.0193339 * V + 0.119192 * B + 0.9503041 * k) / C); return [L, G, U]; } }(i || (Yg.Lab = i = {})), Yg; } var s5; function JO() { if (s5) return Qg; s5 = 1, Object.defineProperty(Qg, "__esModule", { value: !0 }), Qg.Hcl = r; const e = Jr(), t = ZO(); function r() { return r.zero(); } return function(n) { function i() { const S = [0.1, 0, 0]; return S[0] = 0, S; } n.zero = i; function s(S, _, C) { const x = i(); return x[0] = S, x[1] = _, x[2] = C, x; } n.create = s; function a(S, _, C, x) { return S[0] = _, S[1] = C, S[2] = x, S; } n.set = a; function c(S) { return !isNaN(S[0]); } n.hasHue = c; const m = [0, 0, 0]; function u(S, _) { return t.Lab.toHcl(S, t.Lab.fromColor(m, _)); } n.fromColor = u; function l(S, _) { return t.Lab.toHcl(S, _); } n.fromLab = l; const y = [0, 0, 0]; function p(S) { return t.Lab.toColor(o(y, S)); } n.toColor = p; function o(S, _) { let [C, x, A] = _; return isNaN(C) && (C = 0), C = (0, e.degToRad)(C), S[0] = A, S[1] = Math.cos(C) * x, S[2] = Math.sin(C) * x, S; } n.toLab = o; function f(S, _) { return S[0] = _[0], S[1] = _[1], S[2] = _[2], S; } n.copy = f; function d(S, _, C) { return S[0] = _[0], S[1] = Math.max(0, _[1] + P * C), S[2] = _[2], S; } n.saturate = d; function v(S, _, C) { return d(S, _, -C); } n.desaturate = v; const h = [0, 0, 0]; function g(S, _, C) { return o(h, _), t.Lab.to