public static IAtomContainer WashingSoda()
{
var co3 = new AtomContainer();
var carbon = co3.AddAtom("C");
co3.AddBond(carbon, co3.AddAtom("O"), BondOrder.Double);
for (var i = 0; i < 2; i++)
{
var oxy = co3.AddAtom("O");
oxy.FormalCharge = -1;
co3.AddBond(carbon, oxy, BondOrder.Single);
}
var washingSoda = new Crystal(co3);
var sodium00 = washingSoda.AddAtom("Na");
sodium00.FormalCharge = 1;
var sodium01 = washingSoda.AddAtom("Na");
sodium01.FormalCharge = 1;
washingSoda.Title = nameof(washingSoda);
return(washingSoda);
}
public static IAtomContainer Salt()
{
var salt = new Crystal();
var sodium = salt.AddAtom("Na");
sodium.FormalCharge = 1;
var chloride = salt.AddAtom("Cl");
chloride.FormalCharge = -1;
salt.Title = nameof(salt);
return(salt);
}
public static IAtomContainer RootKiller()
{
var mol = new AtomContainer();
var sulfur = mol.AddAtom("S");
for (var i = 0; i < 2; i++)
{
mol.AddBond(sulfur, mol.AddAtom("O"), BondOrder.Double);
}
var oxy00 = mol.AddAtom("O");
oxy00.FormalCharge = -1;
mol.AddBond(sulfur, oxy00, BondOrder.Single);
var oxy01 = mol.AddAtom("O");
oxy01.FormalCharge = -1;
mol.AddBond(sulfur, oxy01, BondOrder.Single);
var rootKiller = new Crystal(mol);
var mg = rootKiller.AddAtom("Cu");
mg.FormalCharge = 2;
rootKiller.Title = nameof(rootKiller);
return(rootKiller);
}
public static IAtomContainer EpsomSalt()
{
var mol = new AtomContainer();
var sulfur = mol.AddAtom("S");
for (var i = 0; i < 2; i++)
{
mol.AddBond(sulfur, mol.AddAtom("O"), BondOrder.Double);
}
var oxy00 = mol.AddAtom("O");
oxy00.FormalCharge = -1;
mol.AddBond(sulfur, oxy00, BondOrder.Single);
var oxy01 = mol.AddAtom("O");
oxy01.FormalCharge = -1;
mol.AddBond(sulfur, oxy01, BondOrder.Single);
var epsomSalt = new Crystal(mol);
var mg = epsomSalt.AddAtom("Mg");
mg.FormalCharge = 2;
epsomSalt.Title = nameof(epsomSalt);
return(epsomSalt);
}
public static IAtomContainer BakingSoda()
{
var co3h = new AtomContainer();
var carbon = co3h.AddAtom("C");
co3h.AddBond(carbon, co3h.AddAtom("O"), BondOrder.Double);
var oxy00 = co3h.AddAtom("O");
co3h.AddBond(carbon, oxy00, BondOrder.Single);
co3h.AddBond(oxy00, co3h.AddAtom("H"), BondOrder.Single);
var oxy01 = co3h.AddAtom("O");
oxy01.FormalCharge = -1;
co3h.AddBond(carbon, oxy01, BondOrder.Single);
var bakingSoda = new Crystal(co3h);
var sodium = bakingSoda.AddAtom("Na");
sodium.FormalCharge = 1;
bakingSoda.Title = nameof(bakingSoda);
return(bakingSoda);
}
public static IAtomContainer CreamOfTartar()
{
var tartaricAcid = new AtomContainer();
var carbons = new[]
{
tartaricAcid.AddAtom("C"),
tartaricAcid.AddAtom("C"),
tartaricAcid.AddAtom("C"),
tartaricAcid.AddAtom("C")
};
tartaricAcid.AddBond(carbons[0], carbons[1], BondOrder.Single);
tartaricAcid.AddBond(carbons[1], carbons[2], BondOrder.Single);
tartaricAcid.AddBond(carbons[2], carbons[3], BondOrder.Single);
var oxy00 = tartaricAcid.AddAtom("O");
tartaricAcid.AddBond(oxy00, tartaricAcid.AddAtom("H"), BondOrder.Single);
tartaricAcid.AddBond(carbons[0], oxy00, BondOrder.Single);
tartaricAcid.AddBond(carbons[0], tartaricAcid.AddAtom("O"), BondOrder.Double);
for (var i = 0; i < 2; i++)
{
var oxy01 = tartaricAcid.AddAtom("O");
tartaricAcid.AddBond(oxy01, tartaricAcid.AddAtom("H"), BondOrder.Single);
tartaricAcid.AddBond(oxy01, carbons[i + 1], BondOrder.Single);
}
tartaricAcid.AddBond(carbons[3], tartaricAcid.AddAtom("O"), BondOrder.Double);
var oxy02 = tartaricAcid.AddAtom("O");
oxy02.FormalCharge = -1;
tartaricAcid.AddBond(carbons[3], oxy02, BondOrder.Single);
var creamOfTartar = new Crystal(tartaricAcid);
var potassium = creamOfTartar.AddAtom("K");
potassium.FormalCharge = 1;
creamOfTartar.Title = nameof(creamOfTartar);
return(creamOfTartar);
}
public static IAtomContainer Lye()
{
var hydroxideAnion = new AtomContainer();
var oxy = hydroxideAnion.AddAtom("O");
oxy.FormalCharge = -1;
hydroxideAnion.AddBond(oxy, hydroxideAnion.AddAtom("H"), BondOrder.Single);
var lye = new Crystal(hydroxideAnion);
var sodium = lye.AddAtom("Na");
sodium.FormalCharge = 1;
lye.Title = nameof(lye);
return(lye);
}
public static IAtomContainer Bleach()
{
var hypochlorite = new AtomContainer();
var oxygen = hypochlorite.AddAtom("O");
var chloride = hypochlorite.AddAtom("Cl");
chloride.FormalCharge = -1;
hypochlorite.AddBond(oxygen, chloride, BondOrder.Single);
var bleach = new Crystal(hypochlorite);
var sodium = bleach.AddAtom("Na");
sodium.FormalCharge = 1;
bleach.Title = nameof(bleach);
return(bleach);
}