smiles
Version:
OpenSMILES compatible parser and serializer
1,316 lines (1,220 loc) • 186 kB
JavaScript
/*
* Generated by PEG.js 0.10.0.
*
* http://pegjs.org/
*/
"use strict";
function peg$subclass(child, parent) {
function ctor() { this.constructor = child; }
ctor.prototype = parent.prototype;
child.prototype = new ctor();
}
function peg$SyntaxError(message, expected, found, location) {
this.message = message;
this.expected = expected;
this.found = found;
this.location = location;
this.name = "SyntaxError";
if (typeof Error.captureStackTrace === "function") {
Error.captureStackTrace(this, peg$SyntaxError);
}
}
peg$subclass(peg$SyntaxError, Error);
peg$SyntaxError.buildMessage = function(expected, found) {
var DESCRIBE_EXPECTATION_FNS = {
literal: function(expectation) {
return "\"" + literalEscape(expectation.text) + "\"";
},
"class": function(expectation) {
var escapedParts = "",
i;
for (i = 0; i < expectation.parts.length; i++) {
escapedParts += expectation.parts[i] instanceof Array
? classEscape(expectation.parts[i][0]) + "-" + classEscape(expectation.parts[i][1])
: classEscape(expectation.parts[i]);
}
return "[" + (expectation.inverted ? "^" : "") + escapedParts + "]";
},
any: function(expectation) {
return "any character";
},
end: function(expectation) {
return "end of input";
},
other: function(expectation) {
return expectation.description;
}
};
function hex(ch) {
return ch.charCodeAt(0).toString(16).toUpperCase();
}
function literalEscape(s) {
return s
.replace(/\\/g, '\\\\')
.replace(/"/g, '\\"')
.replace(/\0/g, '\\0')
.replace(/\t/g, '\\t')
.replace(/\n/g, '\\n')
.replace(/\r/g, '\\r')
.replace(/[\x00-\x0F]/g, function(ch) { return '\\x0' + hex(ch); })
.replace(/[\x10-\x1F\x7F-\x9F]/g, function(ch) { return '\\x' + hex(ch); });
}
function classEscape(s) {
return s
.replace(/\\/g, '\\\\')
.replace(/\]/g, '\\]')
.replace(/\^/g, '\\^')
.replace(/-/g, '\\-')
.replace(/\0/g, '\\0')
.replace(/\t/g, '\\t')
.replace(/\n/g, '\\n')
.replace(/\r/g, '\\r')
.replace(/[\x00-\x0F]/g, function(ch) { return '\\x0' + hex(ch); })
.replace(/[\x10-\x1F\x7F-\x9F]/g, function(ch) { return '\\x' + hex(ch); });
}
function describeExpectation(expectation) {
return DESCRIBE_EXPECTATION_FNS[expectation.type](expectation);
}
function describeExpected(expected) {
var descriptions = new Array(expected.length),
i, j;
for (i = 0; i < expected.length; i++) {
descriptions[i] = describeExpectation(expected[i]);
}
descriptions.sort();
if (descriptions.length > 0) {
for (i = 1, j = 1; i < descriptions.length; i++) {
if (descriptions[i - 1] !== descriptions[i]) {
descriptions[j] = descriptions[i];
j++;
}
}
descriptions.length = j;
}
switch (descriptions.length) {
case 1:
return descriptions[0];
case 2:
return descriptions[0] + " or " + descriptions[1];
default:
return descriptions.slice(0, -1).join(", ")
+ ", or "
+ descriptions[descriptions.length - 1];
}
}
function describeFound(found) {
return found ? "\"" + literalEscape(found) + "\"" : "end of input";
}
return "Expected " + describeExpected(expected) + " but " + describeFound(found) + " found.";
};
function peg$parse(input, options) {
options = options !== void 0 ? options : {};
var peg$FAILED = {},
peg$startRuleFunctions = { start: peg$parsestart },
peg$startRuleFunction = peg$parsestart,
peg$c0 = function(value) { return flat(value) },
peg$c1 = "*",
peg$c2 = peg$literalExpectation("*", false),
peg$c3 = function(value) {
return {type: 'AliphaticOrganic', value: value}
},
peg$c4 = "Br",
peg$c5 = peg$literalExpectation("Br", false),
peg$c6 = "B",
peg$c7 = peg$literalExpectation("B", false),
peg$c8 = "Cl",
peg$c9 = peg$literalExpectation("Cl", false),
peg$c10 = "C",
peg$c11 = peg$literalExpectation("C", false),
peg$c12 = "N",
peg$c13 = peg$literalExpectation("N", false),
peg$c14 = "O",
peg$c15 = peg$literalExpectation("O", false),
peg$c16 = "S",
peg$c17 = peg$literalExpectation("S", false),
peg$c18 = "P",
peg$c19 = peg$literalExpectation("P", false),
peg$c20 = "F",
peg$c21 = peg$literalExpectation("F", false),
peg$c22 = "I",
peg$c23 = peg$literalExpectation("I", false),
peg$c24 = function(value) {
return {type: 'AromaticOrganic', value: value}
},
peg$c25 = "b",
peg$c26 = peg$literalExpectation("b", false),
peg$c27 = "c",
peg$c28 = peg$literalExpectation("c", false),
peg$c29 = "n",
peg$c30 = peg$literalExpectation("n", false),
peg$c31 = "o",
peg$c32 = peg$literalExpectation("o", false),
peg$c33 = "s",
peg$c34 = peg$literalExpectation("s", false),
peg$c35 = "p",
peg$c36 = peg$literalExpectation("p", false),
peg$c37 = "[",
peg$c38 = peg$literalExpectation("[", false),
peg$c39 = function() {
return {type: 'BracketAtom', value: 'begin'}
},
peg$c40 = "]",
peg$c41 = peg$literalExpectation("]", false),
peg$c42 = function() {
return {type: 'BracketAtom', value: 'end'}
},
peg$c43 = function(value) {
return value ? {type: 'Isotope', value: value} : null
},
peg$c44 = function(value) {
return {type: 'ElementSymbol', value: value}
},
peg$c45 = "Ac",
peg$c46 = peg$literalExpectation("Ac", false),
peg$c47 = "Ag",
peg$c48 = peg$literalExpectation("Ag", false),
peg$c49 = "Al",
peg$c50 = peg$literalExpectation("Al", false),
peg$c51 = "Am",
peg$c52 = peg$literalExpectation("Am", false),
peg$c53 = "Ar",
peg$c54 = peg$literalExpectation("Ar", false),
peg$c55 = "As",
peg$c56 = peg$literalExpectation("As", false),
peg$c57 = "At",
peg$c58 = peg$literalExpectation("At", false),
peg$c59 = "Au",
peg$c60 = peg$literalExpectation("Au", false),
peg$c61 = "Ba",
peg$c62 = peg$literalExpectation("Ba", false),
peg$c63 = "Be",
peg$c64 = peg$literalExpectation("Be", false),
peg$c65 = "Bh",
peg$c66 = peg$literalExpectation("Bh", false),
peg$c67 = "Bi",
peg$c68 = peg$literalExpectation("Bi", false),
peg$c69 = "Bk",
peg$c70 = peg$literalExpectation("Bk", false),
peg$c71 = "Ca",
peg$c72 = peg$literalExpectation("Ca", false),
peg$c73 = "Cd",
peg$c74 = peg$literalExpectation("Cd", false),
peg$c75 = "Ce",
peg$c76 = peg$literalExpectation("Ce", false),
peg$c77 = "Cf",
peg$c78 = peg$literalExpectation("Cf", false),
peg$c79 = "Cm",
peg$c80 = peg$literalExpectation("Cm", false),
peg$c81 = "Cn",
peg$c82 = peg$literalExpectation("Cn", false),
peg$c83 = "Co",
peg$c84 = peg$literalExpectation("Co", false),
peg$c85 = "Cr",
peg$c86 = peg$literalExpectation("Cr", false),
peg$c87 = "Cs",
peg$c88 = peg$literalExpectation("Cs", false),
peg$c89 = "Cu",
peg$c90 = peg$literalExpectation("Cu", false),
peg$c91 = "Db",
peg$c92 = peg$literalExpectation("Db", false),
peg$c93 = "Ds",
peg$c94 = peg$literalExpectation("Ds", false),
peg$c95 = "Dy",
peg$c96 = peg$literalExpectation("Dy", false),
peg$c97 = "Er",
peg$c98 = peg$literalExpectation("Er", false),
peg$c99 = "Es",
peg$c100 = peg$literalExpectation("Es", false),
peg$c101 = "Eu",
peg$c102 = peg$literalExpectation("Eu", false),
peg$c103 = "Fe",
peg$c104 = peg$literalExpectation("Fe", false),
peg$c105 = "Fl",
peg$c106 = peg$literalExpectation("Fl", false),
peg$c107 = "Fm",
peg$c108 = peg$literalExpectation("Fm", false),
peg$c109 = "Fr",
peg$c110 = peg$literalExpectation("Fr", false),
peg$c111 = "Ga",
peg$c112 = peg$literalExpectation("Ga", false),
peg$c113 = "Gd",
peg$c114 = peg$literalExpectation("Gd", false),
peg$c115 = "Ge",
peg$c116 = peg$literalExpectation("Ge", false),
peg$c117 = "He",
peg$c118 = peg$literalExpectation("He", false),
peg$c119 = "Hf",
peg$c120 = peg$literalExpectation("Hf", false),
peg$c121 = "Hg",
peg$c122 = peg$literalExpectation("Hg", false),
peg$c123 = "Ho",
peg$c124 = peg$literalExpectation("Ho", false),
peg$c125 = "Hs",
peg$c126 = peg$literalExpectation("Hs", false),
peg$c127 = "H",
peg$c128 = peg$literalExpectation("H", false),
peg$c129 = "In",
peg$c130 = peg$literalExpectation("In", false),
peg$c131 = "Ir",
peg$c132 = peg$literalExpectation("Ir", false),
peg$c133 = "Kr",
peg$c134 = peg$literalExpectation("Kr", false),
peg$c135 = "K",
peg$c136 = peg$literalExpectation("K", false),
peg$c137 = "La",
peg$c138 = peg$literalExpectation("La", false),
peg$c139 = "Li",
peg$c140 = peg$literalExpectation("Li", false),
peg$c141 = "Lr",
peg$c142 = peg$literalExpectation("Lr", false),
peg$c143 = "Lu",
peg$c144 = peg$literalExpectation("Lu", false),
peg$c145 = "Lv",
peg$c146 = peg$literalExpectation("Lv", false),
peg$c147 = "Md",
peg$c148 = peg$literalExpectation("Md", false),
peg$c149 = "Mg",
peg$c150 = peg$literalExpectation("Mg", false),
peg$c151 = "Mn",
peg$c152 = peg$literalExpectation("Mn", false),
peg$c153 = "Mo",
peg$c154 = peg$literalExpectation("Mo", false),
peg$c155 = "Mt",
peg$c156 = peg$literalExpectation("Mt", false),
peg$c157 = "Na",
peg$c158 = peg$literalExpectation("Na", false),
peg$c159 = "Nb",
peg$c160 = peg$literalExpectation("Nb", false),
peg$c161 = "Nd",
peg$c162 = peg$literalExpectation("Nd", false),
peg$c163 = "Ne",
peg$c164 = peg$literalExpectation("Ne", false),
peg$c165 = "Ni",
peg$c166 = peg$literalExpectation("Ni", false),
peg$c167 = "No",
peg$c168 = peg$literalExpectation("No", false),
peg$c169 = "Np",
peg$c170 = peg$literalExpectation("Np", false),
peg$c171 = "Os",
peg$c172 = peg$literalExpectation("Os", false),
peg$c173 = "Pa",
peg$c174 = peg$literalExpectation("Pa", false),
peg$c175 = "Pb",
peg$c176 = peg$literalExpectation("Pb", false),
peg$c177 = "Pd",
peg$c178 = peg$literalExpectation("Pd", false),
peg$c179 = "Pm",
peg$c180 = peg$literalExpectation("Pm", false),
peg$c181 = "Po",
peg$c182 = peg$literalExpectation("Po", false),
peg$c183 = "Pr",
peg$c184 = peg$literalExpectation("Pr", false),
peg$c185 = "Pt",
peg$c186 = peg$literalExpectation("Pt", false),
peg$c187 = "Pu",
peg$c188 = peg$literalExpectation("Pu", false),
peg$c189 = "Ra",
peg$c190 = peg$literalExpectation("Ra", false),
peg$c191 = "Rb",
peg$c192 = peg$literalExpectation("Rb", false),
peg$c193 = "Re",
peg$c194 = peg$literalExpectation("Re", false),
peg$c195 = "Rf",
peg$c196 = peg$literalExpectation("Rf", false),
peg$c197 = "Rg",
peg$c198 = peg$literalExpectation("Rg", false),
peg$c199 = "Rh",
peg$c200 = peg$literalExpectation("Rh", false),
peg$c201 = "Rn",
peg$c202 = peg$literalExpectation("Rn", false),
peg$c203 = "Ru",
peg$c204 = peg$literalExpectation("Ru", false),
peg$c205 = "Sb",
peg$c206 = peg$literalExpectation("Sb", false),
peg$c207 = "Sc",
peg$c208 = peg$literalExpectation("Sc", false),
peg$c209 = "Se",
peg$c210 = peg$literalExpectation("Se", false),
peg$c211 = "Sg",
peg$c212 = peg$literalExpectation("Sg", false),
peg$c213 = "Si",
peg$c214 = peg$literalExpectation("Si", false),
peg$c215 = "Sm",
peg$c216 = peg$literalExpectation("Sm", false),
peg$c217 = "Sn",
peg$c218 = peg$literalExpectation("Sn", false),
peg$c219 = "Sr",
peg$c220 = peg$literalExpectation("Sr", false),
peg$c221 = "Ta",
peg$c222 = peg$literalExpectation("Ta", false),
peg$c223 = "Tb",
peg$c224 = peg$literalExpectation("Tb", false),
peg$c225 = "Tc",
peg$c226 = peg$literalExpectation("Tc", false),
peg$c227 = "Te",
peg$c228 = peg$literalExpectation("Te", false),
peg$c229 = "Th",
peg$c230 = peg$literalExpectation("Th", false),
peg$c231 = "Ti",
peg$c232 = peg$literalExpectation("Ti", false),
peg$c233 = "Tl",
peg$c234 = peg$literalExpectation("Tl", false),
peg$c235 = "Tm",
peg$c236 = peg$literalExpectation("Tm", false),
peg$c237 = "U",
peg$c238 = peg$literalExpectation("U", false),
peg$c239 = "V",
peg$c240 = peg$literalExpectation("V", false),
peg$c241 = "W",
peg$c242 = peg$literalExpectation("W", false),
peg$c243 = "Xe",
peg$c244 = peg$literalExpectation("Xe", false),
peg$c245 = "Yb",
peg$c246 = peg$literalExpectation("Yb", false),
peg$c247 = "Y",
peg$c248 = peg$literalExpectation("Y", false),
peg$c249 = "Zn",
peg$c250 = peg$literalExpectation("Zn", false),
peg$c251 = "Zr",
peg$c252 = peg$literalExpectation("Zr", false),
peg$c253 = function(value) {
return {type: 'AromaticSymbol', value: value}
},
peg$c254 = "as",
peg$c255 = peg$literalExpectation("as", false),
peg$c256 = "se",
peg$c257 = peg$literalExpectation("se", false),
peg$c258 = function(value) {
return {type: 'Chiral', value: chiralMap[value]}
},
peg$c259 = "@@",
peg$c260 = peg$literalExpectation("@@", false),
peg$c261 = "@",
peg$c262 = peg$literalExpectation("@", false),
peg$c263 = function(value) {
return {type: 'HydrogenCount', value: value !== null ? value : 1}
},
peg$c264 = "-",
peg$c265 = peg$literalExpectation("-", false),
peg$c266 = function(value) {
return {type: 'Charge', value: value ? value * -1 : -1}
},
peg$c267 = "+",
peg$c268 = peg$literalExpectation("+", false),
peg$c269 = function(value) {
return {type: 'Charge', value: value ? value: 1}
},
peg$c270 = ":",
peg$c271 = peg$literalExpectation(":", false),
peg$c272 = function(value) {
return {type: 'Class', value: value}
},
peg$c273 = function(value) {
return {type: 'Bond', value: value}
},
peg$c274 = "=",
peg$c275 = peg$literalExpectation("=", false),
peg$c276 = "#",
peg$c277 = peg$literalExpectation("#", false),
peg$c278 = "$",
peg$c279 = peg$literalExpectation("$", false),
peg$c280 = "/",
peg$c281 = peg$literalExpectation("/", false),
peg$c282 = "\\",
peg$c283 = peg$literalExpectation("\\", false),
peg$c284 = function(bond, value) {
return [bond, {type: 'Ringbond', value: value}]
},
peg$c285 = "%",
peg$c286 = peg$literalExpectation("%", false),
peg$c287 = "(",
peg$c288 = peg$literalExpectation("(", false),
peg$c289 = function() {
return {type: 'Branch', value: 'begin'}
},
peg$c290 = ")",
peg$c291 = peg$literalExpectation(")", false),
peg$c292 = function() {
return {type: 'Branch', value: 'end'}
},
peg$c293 = ".",
peg$c294 = peg$literalExpectation(".", false),
peg$c295 = function() {
return {type: 'Bond', value: '.'}
},
peg$c296 = function(Chain) {
return flat(Chain)
},
peg$c297 = /^[0-9]/,
peg$c298 = peg$classExpectation([["0", "9"]], false, false),
peg$c299 = function() {
return parseInt(text())
},
peg$currPos = 0,
peg$savedPos = 0,
peg$posDetailsCache = [{ line: 1, column: 1 }],
peg$maxFailPos = 0,
peg$maxFailExpected = [],
peg$silentFails = 0,
peg$result;
if ("startRule" in options) {
if (!(options.startRule in peg$startRuleFunctions)) {
throw new Error("Can't start parsing from rule \"" + options.startRule + "\".");
}
peg$startRuleFunction = peg$startRuleFunctions[options.startRule];
}
function text() {
return input.substring(peg$savedPos, peg$currPos);
}
function location() {
return peg$computeLocation(peg$savedPos, peg$currPos);
}
function expected(description, location) {
location = location !== void 0 ? location : peg$computeLocation(peg$savedPos, peg$currPos)
throw peg$buildStructuredError(
[peg$otherExpectation(description)],
input.substring(peg$savedPos, peg$currPos),
location
);
}
function error(message, location) {
location = location !== void 0 ? location : peg$computeLocation(peg$savedPos, peg$currPos)
throw peg$buildSimpleError(message, location);
}
function peg$literalExpectation(text, ignoreCase) {
return { type: "literal", text: text, ignoreCase: ignoreCase };
}
function peg$classExpectation(parts, inverted, ignoreCase) {
return { type: "class", parts: parts, inverted: inverted, ignoreCase: ignoreCase };
}
function peg$anyExpectation() {
return { type: "any" };
}
function peg$endExpectation() {
return { type: "end" };
}
function peg$otherExpectation(description) {
return { type: "other", description: description };
}
function peg$computePosDetails(pos) {
var details = peg$posDetailsCache[pos], p;
if (details) {
return details;
} else {
p = pos - 1;
while (!peg$posDetailsCache[p]) {
p--;
}
details = peg$posDetailsCache[p];
details = {
line: details.line,
column: details.column
};
while (p < pos) {
if (input.charCodeAt(p) === 10) {
details.line++;
details.column = 1;
} else {
details.column++;
}
p++;
}
peg$posDetailsCache[pos] = details;
return details;
}
}
function peg$computeLocation(startPos, endPos) {
var startPosDetails = peg$computePosDetails(startPos),
endPosDetails = peg$computePosDetails(endPos);
return {
start: {
offset: startPos,
line: startPosDetails.line,
column: startPosDetails.column
},
end: {
offset: endPos,
line: endPosDetails.line,
column: endPosDetails.column
}
};
}
function peg$fail(expected) {
if (peg$currPos < peg$maxFailPos) { return; }
if (peg$currPos > peg$maxFailPos) {
peg$maxFailPos = peg$currPos;
peg$maxFailExpected = [];
}
peg$maxFailExpected.push(expected);
}
function peg$buildSimpleError(message, location) {
return new peg$SyntaxError(message, null, null, location);
}
function peg$buildStructuredError(expected, found, location) {
return new peg$SyntaxError(
peg$SyntaxError.buildMessage(expected, found),
expected,
found,
location
);
}
function peg$parsestart() {
var s0;
s0 = peg$parseSmiles();
return s0;
}
function peg$parseAtom() {
var s0, s1;
s0 = peg$currPos;
s1 = peg$parseBracketAtom();
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c0(s1);
}
s0 = s1;
if (s0 === peg$FAILED) {
s0 = peg$parseAliphaticOrganic();
if (s0 === peg$FAILED) {
s0 = peg$parseAromaticOrganic();
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 42) {
s0 = peg$c1;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c2); }
}
}
}
}
return s0;
}
function peg$parseAliphaticOrganic() {
var s0, s1;
s0 = peg$currPos;
s1 = peg$parseAliphaticOrganicValue();
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c3(s1);
}
s0 = s1;
return s0;
}
function peg$parseAliphaticOrganicValue() {
var s0;
if (input.substr(peg$currPos, 2) === peg$c4) {
s0 = peg$c4;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c5); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 66) {
s0 = peg$c6;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c7); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c8) {
s0 = peg$c8;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c9); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 67) {
s0 = peg$c10;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c11); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 78) {
s0 = peg$c12;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c13); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 79) {
s0 = peg$c14;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c15); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 83) {
s0 = peg$c16;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c17); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 80) {
s0 = peg$c18;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c19); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 70) {
s0 = peg$c20;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c21); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 73) {
s0 = peg$c22;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c23); }
}
}
}
}
}
}
}
}
}
}
return s0;
}
function peg$parseAromaticOrganic() {
var s0, s1;
s0 = peg$currPos;
s1 = peg$parseAromaticOrganicValue();
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c24(s1);
}
s0 = s1;
return s0;
}
function peg$parseAromaticOrganicValue() {
var s0;
if (input.charCodeAt(peg$currPos) === 98) {
s0 = peg$c25;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c26); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 99) {
s0 = peg$c27;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c28); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 110) {
s0 = peg$c29;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c30); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 111) {
s0 = peg$c31;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c32); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 115) {
s0 = peg$c33;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c34); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 112) {
s0 = peg$c35;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c36); }
}
}
}
}
}
}
return s0;
}
function peg$parseBracketAtom() {
var s0, s1, s2, s3, s4, s5, s6, s7, s8;
s0 = peg$currPos;
s1 = peg$parseBracketAtomBegin();
if (s1 !== peg$FAILED) {
s2 = peg$parseIsotope();
if (s2 === peg$FAILED) {
s2 = null;
}
if (s2 !== peg$FAILED) {
s3 = peg$parseSymbol();
if (s3 !== peg$FAILED) {
s4 = peg$parseChiral();
if (s4 === peg$FAILED) {
s4 = null;
}
if (s4 !== peg$FAILED) {
s5 = peg$parseHydrogenCount();
if (s5 === peg$FAILED) {
s5 = null;
}
if (s5 !== peg$FAILED) {
s6 = peg$parseCharge();
if (s6 === peg$FAILED) {
s6 = null;
}
if (s6 !== peg$FAILED) {
s7 = peg$parseClass();
if (s7 === peg$FAILED) {
s7 = null;
}
if (s7 !== peg$FAILED) {
s8 = peg$parseBracketAtomEnd();
if (s8 !== peg$FAILED) {
s1 = [s1, s2, s3, s4, s5, s6, s7, s8];
s0 = s1;
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
} else {
peg$currPos = s0;
s0 = peg$FAILED;
}
return s0;
}
function peg$parseBracketAtomBegin() {
var s0, s1;
s0 = peg$currPos;
if (input.charCodeAt(peg$currPos) === 91) {
s1 = peg$c37;
peg$currPos++;
} else {
s1 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c38); }
}
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c39();
}
s0 = s1;
return s0;
}
function peg$parseBracketAtomEnd() {
var s0, s1;
s0 = peg$currPos;
if (input.charCodeAt(peg$currPos) === 93) {
s1 = peg$c40;
peg$currPos++;
} else {
s1 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c41); }
}
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c42();
}
s0 = s1;
return s0;
}
function peg$parseSymbol() {
var s0;
s0 = peg$parseElementSymbol();
if (s0 === peg$FAILED) {
s0 = peg$parseAromaticSymbol();
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 42) {
s0 = peg$c1;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c2); }
}
}
}
return s0;
}
function peg$parseIsotope() {
var s0, s1;
s0 = peg$currPos;
s1 = peg$parseNUMBER();
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c43(s1);
}
s0 = s1;
return s0;
}
function peg$parseElementSymbol() {
var s0, s1;
s0 = peg$currPos;
s1 = peg$parseElementSymbolValue();
if (s1 !== peg$FAILED) {
peg$savedPos = s0;
s1 = peg$c44(s1);
}
s0 = s1;
return s0;
}
function peg$parseElementSymbolValue() {
var s0;
if (input.substr(peg$currPos, 2) === peg$c45) {
s0 = peg$c45;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c46); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c47) {
s0 = peg$c47;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c48); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c49) {
s0 = peg$c49;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c50); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c51) {
s0 = peg$c51;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c52); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c53) {
s0 = peg$c53;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c54); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c55) {
s0 = peg$c55;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c56); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c57) {
s0 = peg$c57;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c58); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c59) {
s0 = peg$c59;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c60); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c61) {
s0 = peg$c61;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c62); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c63) {
s0 = peg$c63;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c64); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c65) {
s0 = peg$c65;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c66); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c67) {
s0 = peg$c67;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c68); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c69) {
s0 = peg$c69;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c70); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c4) {
s0 = peg$c4;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c5); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 66) {
s0 = peg$c6;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c7); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c71) {
s0 = peg$c71;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c72); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c73) {
s0 = peg$c73;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c74); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c75) {
s0 = peg$c75;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c76); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c77) {
s0 = peg$c77;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c78); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c8) {
s0 = peg$c8;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c9); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c79) {
s0 = peg$c79;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c80); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c81) {
s0 = peg$c81;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c82); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c83) {
s0 = peg$c83;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c84); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c85) {
s0 = peg$c85;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c86); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c87) {
s0 = peg$c87;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c88); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c89) {
s0 = peg$c89;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c90); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 67) {
s0 = peg$c10;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c11); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c91) {
s0 = peg$c91;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c92); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c93) {
s0 = peg$c93;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c94); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c95) {
s0 = peg$c95;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c96); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c97) {
s0 = peg$c97;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c98); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c99) {
s0 = peg$c99;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c100); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c101) {
s0 = peg$c101;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c102); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c103) {
s0 = peg$c103;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c104); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c105) {
s0 = peg$c105;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c106); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c107) {
s0 = peg$c107;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c108); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c109) {
s0 = peg$c109;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c110); }
}
if (s0 === peg$FAILED) {
if (input.charCodeAt(peg$currPos) === 70) {
s0 = peg$c20;
peg$currPos++;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c21); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c111) {
s0 = peg$c111;
peg$currPos += 2;
} else {
s0 = peg$FAILED;
if (peg$silentFails === 0) { peg$fail(peg$c112); }
}
if (s0 === peg$FAILED) {
if (input.substr(peg$currPos, 2) === peg$c113) {
s0 = peg$c113;