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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#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 | |
| namespace | 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 | |
| RDKIT_RDGENERAL_EXPORT double | RDKit::computeIntVectPrimesProduct (const INT_VECT &ring) |
| compute the product of the set of primes corresponding to the values in an INT_VECT | |
| RDKIT_RDGENERAL_EXPORT bool | RDKit::feq (double v1, double v2, double tol=1e-4) |
| floating point comparison with a tolerance | |
| RDKIT_RDGENERAL_EXPORT rng_type & | RDKit::getRandomGenerator (int seed=-1) |
| RDKIT_RDGENERAL_EXPORT double | RDKit::getRandomVal (int seed=-1) |
| RDKIT_RDGENERAL_EXPORT double_source_type & | RDKit::getDoubleRandomSource () |
| return a reference to the global (Boost) random source | |
| template<class T> | |
| unsigned int | RDKit::countSwapsToInterconvert (const T &ref, T probe) |
| RDKIT_RDGENERAL_EXPORT std::string | RDKit::augmentTagName (const std::string &tag) |
| 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::NUM_PRIMES_AVAIL |
| the number of primes available and stored | |
| RDKIT_RDGENERAL_EXPORT int | RDKit::firstThousandPrimes [NUM_PRIMES_AVAIL] |
| const int | RDKit::FILE_MAXLINE |
| an assumed maximum length for lines read from files | |
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inline |