The Molecule
constuctor does not accept any arguments.
let molecule = new Molecule();
Molecule.createAtom
Molecule.createAtoms
Molecule.getAtomId
Molecule.getAtomById
Molecule.getAtomsByElement
Molecule.contains
Molecule.getAtomsByElement
Molecule.bond
Molecule.modifyBond
Molecule.getBond
Molecule.getBondedAtoms
Molecule.getBondCount
Molecule.getBranchPaths
Molecule.pack
Molecule.unpack
Molecule.chainCarbons
Molecule.hydrogenateCarbon
Molecule.hydrogenateCarbons
Type: Number
The mass of the molecule in daltons.
Type: Object
The counts of individual atoms by symbol and atomic number.
Example: Butane
Object {
"atomic": Object {
"1": 10,
"6": 4,
},
"symbol": Object {
"C": 4,
"H": 10,
},
}
Type: Object
The elemental composition with respect to moles by symbol and atomic number.
Example: Butane
Object {
"atomic": Object {
"1": 0.7143,
"6": 0.2857,
},
"symbol": Object {
"C": 0.2857,
"H": 0.7143,
},
}
Type: Object
The elemental composition with respect to mass by symbol and atomic number.
Example: Butane
Object {
"atomic": Object {
"1": 0.1734,
"6": 0.8266,
},
"symbol": Object {
"C": 0.8266,
"H": 0.1734,
},
}