#include <FormulaParser.h>

Public Member Functions
	FormulaParser (const std::string &s)
	construct with chemical formula s More...

template<class T >
void	chno (std::array< T, 4 > &v)

double	mw (void)

Detailed Description

Chemical formula parser and molecular weigh calculator
"H" ________________________________________________________________________________ "He" "Li" "Be" _________________________________________________ "B" "C" "N" "O" "F" "Ne" "Na" "Mg" _________________________________________________ "Al" "Si" "P" "S" "Cl" "Ar" "K" "Ca" "Sc" "Ti" "V" "Cr" "Mn" "Fe" "Co" "Ni" "Cu" "Zn" "Ga" "Ge" "As" "Se" "Br" "Kr" "Rb" "Sr" "Y" "Zr" "Nb" "Mo" ____ "Ru" "Rh" "Pd" "Ag" "Cd" "In" "Sn" "Sb" "Te" "I" "Xe" "Cs" "Ba" Lanthanides.. "Hf" "Ta" "W" "Re" "objects_" "Ir" "Pt" "Au" "Hg" "Tl" "Pb" "Bi" Lanthanides: "La" "Ce" "Pr" "Nd" "Sm" "Eu" "Gd" "Tb" "Dy" "Ho" "Er" "Tm" "Yb" "Lu" Actines: "Th" "Pa" "U"

Atomic weigths based on: Michael E. Wieser and Michael Berglund Atomic weights of the elements 2007 (IUPAC Technical Report) Pure Appl. Chem., 2009, Vol. 81, No. 11, pp. 2131-2156 doi:10.1351/PAC-REP-09-08-03

#include <libpf/components/FormulaParser.h>

Remarks

Warning: Thread safe:; Extendable:; Platform dependencies:

Constructor & Destructor Documentation

◆ FormulaParser()

FormulaParser::FormulaParser ( const std::string & s )

explicit

construct with chemical formula s

Member Function Documentation

◆ chno()

template<class T >

void FormulaParser::chno ( std::array< T, 4 > & v )

return C, H, N, O atom counts ignore other atoms

◆ mw()

double FormulaParser::mw ( void )

calculate molecular weight atomic weigths based on: Michael E. Wieser and Michael Berglund Atomic weights of the elements 2007 (IUPAC Technical Report) Pure Appl. Chem., 2009, Vol. 81, No. 11, pp. 2131-2156 doi:10.1351/PAC-REP-09-08-03

The documentation for this class was generated from the following file: