RDKit
Open-source cheminformatics and machine learning.
utils.h File Reference
#include "types.h"
#include <RDGeneral/Invariant.h>
#include <RDGeneral/BoostStartInclude.h>
#include <boost/random.hpp>
#include <RDGeneral/BoostEndInclude.h>

Go to the source code of this file.

Namespaces

 RDKit
 Std stuff.
 

Typedefs

typedef boost::minstd_rand RDKit::rng_type
 
typedef boost::uniform_int RDKit::uniform_int
 
typedef boost::uniform_real RDKit::uniform_double
 
typedef boost::variate_generator< rng_type &, uniform_int > RDKit::int_source_type
 
typedef boost::variate_generator< rng_type &, uniform_double > RDKit::double_source_type
 

Functions

double RDKit::computeIntVectPrimesProduct (const INT_VECT &ring)
 compute the product of the set of primes corresponding to the values in an INT_VECT More...
 
bool RDKit::feq (double v1, double v2, double tol=1e-4)
 floating point comparison with a tolerance More...
 
rng_type & RDKit::getRandomGenerator (int seed=-1)
 Optionally seed and return a reference to the global (Boost) random. More...
 
double RDKit::getRandomVal (int seed=-1)
 
double_source_type & RDKit::getDoubleRandomSource ()
 return a reference to the global (Boost) random source More...
 
template<class T >
unsigned int RDKit::countSwapsToInterconvert (const T &ref, T probe)
 
template<unsigned n>
double int_pow (double x)
 
template<>
double int_pow< 0 > (double)
 
template<>
double int_pow< 1 > (double x)
 

Variables

const int RDKit::FILE_MAXLINE
 an assumed maximum length for lines read from files More...
 

Function Documentation

template<unsigned n>
double int_pow ( double  x)
inline

Definition at line 84 of file utils.h.

template<>
double int_pow< 0 > ( double  )
inline

Definition at line 93 of file utils.h.

template<>
double int_pow< 1 > ( double  x)
inline

Definition at line 98 of file utils.h.