API/chain__model_8h_source.html

#ifndef CHAIN_MODEL_H

#define CHAIN_MODEL_H


#include "biolcccexception.h"

#include "chemicalbasis.h"


namespace BioLCCC

{


std::vector<double> calculateBoltzmannFactorProfile(

    const std::vector<double> &effectiveEnergyProfile);


double calculateKdChain(

    const std::vector<ChemicalGroup> &parsedSequence,

    const double secondSolventConcentration,

    const ChemicalBasis &chemBasis,

    const double columnPoreSize,

    const double columnRelativeStrength,

    const double temperature);

}


#endif

BioLCCC
Apart from classes, BioLCCC contains calculation methods and constants.
Definition auxiliary.h:5

BioLCCC::calculateKdChain
double calculateKdChain(const std::vector< ChemicalGroup > &parsedSequence, const double secondSolventConcentration, const ChemicalBasis &chemBasis, const double columnPoreSize, const double columnRelativeStrength, const double temperature)
Calculates coefficient of distribution of a polymer using the chain model.
Definition chain_model.cpp:25

BioLCCC::calculateBoltzmannFactorProfile
std::vector< double > calculateBoltzmannFactorProfile(const std::vector< double > &effectiveEnergyProfile)
Converts energy profile of a peptide/protein to a profile of probabilities.
Definition chain_model.cpp:9