Molecule
Class representing a single molecule.
- Properties:
-
- MolType
- - Molecular Type of the molecule
- Name
- - Name of the molecule, either user-provided or generated from MolecularType name and molecule number
- Number
- - Serial number of the molecule within all molecules of the corresponding molecular type
- ID
- - Serial number of the molecule within all molecules of the system
- Atoms
- - List of atoms belonging to the molecule
- Bonds (also PairBonds and AngleBond)
- - List of Bonds belonging to the Molecule
-
- Methods:
-
- AddAtom(atom)
- - Add the atom to the molecule
- AddBond(bond)
- - Add the bond to the molecule
