fitModel.h File Reference

#include <BALL/QSAR/nonlinearModel.h>
#include <gsl/gsl_multifit_nlin.h>
#include <gsl/gsl_deriv.h>
#include <gsl/gsl_math.h>
#include <BALL/MATHS/parsedFunction.h>

Go to the source code of this file.

Classes
class	BALL::QSAR::FitModel

Namespaces
namespace	BALL
namespace	BALL::QSAR

Functions
double	BALL::QSAR::getFunctionValue (double X, void *params)
int	BALL::QSAR::setF (const gsl_vector *x, void *params, gsl_vector *f)
int	BALL::QSAR::setDf (const gsl_vector *x, void *params, gsl_matrix *df)
int	BALL::QSAR::setFdf (const gsl_vector *x, void *params, gsl_vector *f, gsl_matrix *df)
gsl_multifit_function_fdf	BALL::QSAR::make_fdf (int(*f)(const gsl_vector *, void *, gsl_vector *), int(*df)(const gsl_vector *, void *, gsl_matrix *), int(*fdf)(const gsl_vector *, void *, gsl_vector *, gsl_matrix *), size_t n, size_t p, void *params)

Variables
const Matrix< double > *	BALL::QSAR::fitX
Matrix< double > *	BALL::QSAR::fitY
String *	BALL::QSAR::equation
vector< String > *	BALL::QSAR::diffEquations
ParsedFunction< double > *	BALL::QSAR::f
unsigned int	BALL::QSAR::c