parsing.h

#ifndef PARSING_H
#define PARSING_H
 
#include "biolcccexception.h"
#include "chemicalbasis.h"
 
namespace BioLCCC
{
 
class ParsingException : public BioLCCCException
{
public:
    ParsingException(std::string message);
};
 
 
std::vector<ChemicalGroup> parseSequence(
    const std::string &source,
    const ChemicalBasis &chemBasis);
 
 
std::vector<double> calculateMonomerEnergyProfile(
    const std::vector<ChemicalGroup> &parsedSequence,
    const ChemicalBasis & chemBasis,
    const double secondSolventConcentration,
    const double columnRelativeStrength, 
    const double temperature);
 
 
std::vector<double> calculateSegmentEnergyProfile(
    const std::vector<double> &monomerEnergyProfile,
    const double monomerLength,
    const double kuhnLength);
}
 
#endif