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sc::MolecularFormula Class Reference The MolecularFormula class is used to calculate the molecular formula of a Molecule. More... #include <formula.h> List of all members. Public Methods   MolecularFormula (const Ref< Molecule > &m)   Constructors. The argument must be nonnull.   MolecularFormula (const Molecule *m)   ~MolecularFormula () const char *  formula () const   Returns a null terminated string containing the molecular formula. int  natomtypes ()   Returns the number of atomtypes. int  Z (int itype)   Returns atomic number of given atomtypeindex. int  nZ (int itype)   Returns number of atoms of given atomtypeindex. Detailed Description The MolecularFormula class is used to calculate the molecular formula of a Molecule. There is only one constructor which takes Ref<Molecule> as input. The documentation for this class was generated from the following file: formula.h