7 #ifndef BALL_SOLVATION_PAIR6_12RDFINTEGRATOR_H
8 #define BALL_SOLVATION_PAIR6_12RDFINTEGRATOR_H
10 #ifndef BALL_STRUCTURE_RDFINTEGRATOR_H
14 #ifndef BALL_MATHS_PIECEWISEFUNCTION_H
18 #ifndef BALL_DATATYPE_OPTIONS_H
92 METHOD__ANALYTICAL = 1,
193 double integrate(
double from,
double to,
double A,
double B,
double k1,
201 virtual double operator () (
double x)
const;
230 virtual void dump (std::ostream& s = std::cout,
Size depth = 0)
const;
261 double analyticallyIntegrateInterval(
const Interval& interval,
268 double numericallyIntegrateInterval(
const Interval& interval)
const;
275 double project(
double x)
const;
281 double unproject(
double x)
const;
#define BALL_CREATE(name)
std::vector< double > Coefficients
std::pair< double, double > Interval
BALL_EXPORT bool operator==(const String &s1, const String &s2)
double integrate(double from, double to) const
double integrateToInf(double from, double A, double B, double k1, double k2)
Pair6_12RDFIntegrator(double A, double B, double k1, double k2, const RadialDistributionFunction &rdf)
virtual void dump(std::ostream &s=std::cout, Size depth=0) const
void setConstants(double A, double B, double k1, double k2)
void getConstants(double &A, double &B, double &k1, double &k2)
Pair6_12RDFIntegrator(const Pair6_12RDFIntegrator &integrator)
double integrate(double from, double to, double A, double B, double k1, double k2)
double integrateToInf(double from) const
virtual ~Pair6_12RDFIntegrator()
static const char * VERBOSITY
static const char * METHOD
static const char * SAMPLES
static const Size SAMPLES
static const Size VERBOSITY