.TH "sc::MolecularFormula" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::MolecularFormula \- The \fBMolecularFormula\fP class is used to calculate the molecular formula of a \fBMolecule\fP\&.  

.SH SYNOPSIS
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.PP
.PP
\fC#include <formula\&.h>\fP
.SS "Public Member Functions"

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.RI "\fBMolecularFormula\fP (const \fBRef\fP< \fBMolecule\fP > &m)"
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.RI "Constructors\&. The argument must be nonnull\&. "
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.RI "\fBMolecularFormula\fP (const \fBMolecule\fP *m)"
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.RI "const char * \fBformula\fP () const"
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.RI "Returns a null terminated string containing the molecular formula\&. "
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.RI "int \fBnatomtypes\fP ()"
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.RI "Returns the number of atomtypes\&. "
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.RI "int \fBZ\fP (int itype)"
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.RI "Returns atomic number of given atomtypeindex\&. "
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.RI "int \fBnZ\fP (int itype)"
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.RI "Returns number of atoms of given atomtypeindex\&. "
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.SH "Detailed Description"
.PP 
The \fBMolecularFormula\fP class is used to calculate the molecular formula of a \fBMolecule\fP\&. 

There is only one constructor which takes Ref<Molecule> as input\&. 

.SH "Author"
.PP 
Generated automatically by Doxygen for MPQC from the source code\&.