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Chemical calculator: Difference between revisions
Add Swift
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Line 2,129:
molar mass of Uue is 315
</pre>
=={{header|Swift}}==
<lang swift>import Foundation
struct Chem {
struct Molecule {
var formula: String
var parts: [Molecule]
var quantity = 1
var molarMass: Double {
switch parts.count {
case 0:
return Chem.atomicWeights[formula]! * Double(quantity)
case _:
return parts.lazy.map({ $0.molarMass }).reduce(0, +) * Double(quantity)
}
}
private init(formula: String, parts: [Molecule], quantity: Int) {
self.formula = formula
self.parts = parts
self.quantity = quantity
}
init?(fromString str: String) {
guard let mol = Molecule.parseString(str[...]) else {
return nil
}
self = mol
}
private static func parseString(_ str: Substring) -> Molecule? {
guard !str.isEmpty else {
return nil
}
var parts = [Molecule]()
var workingMol = ""
var idx = str.startIndex
func completeAtom() -> Bool {
guard Chem.atomicWeights.keys.contains(workingMol) else {
return false
}
parts.append(Molecule(formula: workingMol, parts: [], quantity: 1))
workingMol = ""
return true
}
while idx != str.endIndex {
let char = str[idx]
guard char.isASCII else {
return nil
}
if (char.isUppercase || char == "(" || char.isNumber) && !workingMol.isEmpty {
guard completeAtom() else {
return nil
}
}
if char == "(" {
var parenLevel = 1
let subMolStart = str.index(after: idx)
idx = subMolStart
while parenLevel != 0 {
guard idx != str.endIndex else {
return nil
}
if str[idx] == "(" {
parenLevel += 1
} else if str[idx] == ")" {
parenLevel -= 1
}
if parenLevel != 0 {
idx = str.index(after: idx)
}
}
guard let subMol = parseString(str[subMolStart..<idx]) else {
return nil
}
parts.append(subMol)
idx = str.index(after: idx)
continue
} else if char == ")" {
fatalError()
}
workingMol.append(char)
if char.isNumber {
guard !parts.isEmpty else {
return nil
}
var workNum = workingMol
idx = str.index(after: idx)
while idx != str.endIndex && str[idx].isNumber {
workNum.append(str[idx])
idx = str.index(after: idx)
}
parts[parts.count - 1].quantity = Int(workNum)!
workingMol = ""
continue
}
idx = str.index(after: idx)
}
guard workingMol.isEmpty || completeAtom() else {
return nil
}
return Molecule(formula: String(str), parts: parts, quantity: 1)
}
}
static func calculateMolarMass(of chem: String) -> Double? {
guard let mol = Molecule(fromString: chem) else {
return nil
}
return mol.molarMass
}
fileprivate static let atomicWeights = [
"H": 1.008,
"He": 4.002602,
"Li": 6.94,
"Be": 9.0121831,
"B": 10.81,
"C": 12.011,
"N": 14.007,
"O": 15.999,
"F": 18.998403163,
"Ne": 20.1797,
"Na": 22.98976928,
"Mg": 24.305,
"Al": 26.9815385,
"Si": 28.085,
"P": 30.973761998,
"S": 32.06,
"Cl": 35.45,
"K": 39.0983,
"Ar": 39.948,
"Ca": 40.078,
"Sc": 44.955908,
"Ti": 47.867,
"V": 50.9415,
"Cr": 51.9961,
"Mn": 54.938044,
"Fe": 55.845,
"Ni": 58.6934,
"Co": 58.933194,
"Cu": 63.546,
"Zn": 65.38,
"Ga": 69.723,
"Ge": 72.63,
"As": 74.921595,
"Se": 78.971,
"Br": 79.904,
"Kr": 83.798,
"Rb": 85.4678,
"Sr": 87.62,
"Y": 88.90584,
"Zr": 91.224,
"Nb": 92.90637,
"Mo": 95.95,
"Ru": 101.07,
"Rh": 102.9055,
"Pd": 106.42,
"Ag": 107.8682,
"Cd": 112.414,
"In": 114.818,
"Sn": 118.71,
"Sb": 121.76,
"I": 126.90447,
"Te": 127.6,
"Xe": 131.293,
"Cs": 132.90545196,
"Ba": 137.327,
"La": 138.90547,
"Ce": 140.116,
"Pr": 140.90766,
"Nd": 144.242,
"Pm": 145,
"Sm": 150.36,
"Eu": 151.964,
"Gd": 157.25,
"Tb": 158.92535,
"Dy": 162.5,
"Ho": 164.93033,
"Er": 167.259,
"Tm": 168.93422,
"Yb": 173.054,
"Lu": 174.9668,
"Hf": 178.49,
"Ta": 180.94788,
"W": 183.84,
"Re": 186.207,
"Os": 190.23,
"Ir": 192.217,
"Pt": 195.084,
"Au": 196.966569,
"Hg": 200.592,
"Tl": 204.38,
"Pb": 207.2,
"Bi": 208.9804,
"Po": 209,
"At": 210,
"Rn": 222,
"Fr": 223,
"Ra": 226,
"Ac": 227,
"Pa": 231.03588,
"Th": 232.0377,
"Np": 237,
"U": 238.02891,
"Am": 243,
"Pu": 244,
"Cm": 247,
"Bk": 247,
"Cf": 251,
"Es": 252,
"Fm": 257,
"Ubn": 299,
"Uue": 315
]
}
let testCases = [
("H", "1.008"),
("H2", "2.016"),
("H2O", "18.015"),
("H2O2", "34.014"),
("(HO)2", "34.014"),
("Na2SO4", "142.036"),
("C6H12", "84.162"),
("COOH(C(CH3)2)3CH3", "186.295"),
("C6H4O2(OH)4", "176.124"),
("C27H46O", "386.664"),
("Uue", "315.000")
]
let fmt = { String(format: "%.3f", $0) }
for (mol, expected) in testCases {
guard let mass = Chem.calculateMolarMass(of: mol) else {
fatalError("Bad formula \(mol)")
}
assert(fmt(mass) == expected, "Incorrect result")
print("\(mol) => \(fmt(mass))")
}</lang>
{{out}}
<pre>H => 1.008
H2 => 2.016
H2O => 18.015
H2O2 => 34.014
(HO)2 => 34.014
Na2SO4 => 142.036
C6H12 => 84.162
COOH(C(CH3)2)3CH3 => 186.295
C6H4O2(OH)4 => 176.124
C27H46O => 386.664
Uue => 315.000</pre>
=={{header|Visual Basic .NET}}==
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