sc_MolecularFormula man page on DragonFly

sc_MolecularFormula man page on DragonFly

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sc::MolecularFormula(3)		     MPQC	       sc::MolecularFormula(3)

NAME
       sc::MolecularFormula - The MolecularFormula class is used to calculate
       the molecular formula of a Molecule.

SYNOPSIS
       #include <formula.h>

   Public Member Functions
       MolecularFormula (const Ref< Molecule > &m)
	   Constructors. The argument must be nonnull.
       MolecularFormula (const Molecule *m)
       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.

Author
       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1			Fri Feb 19 2016	       sc::MolecularFormula(3)

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