types.h File Reference

#include <cmath>
#include <RDGeneral/Invariant.h>
#include "Dict.h"
#include <vector>
#include <deque>
#include <map>
#include <set>
#include <string>
#include <algorithm>
#include <numeric>
#include <list>
#include <limits>
#include <stdlib.h>
#include <boost/any.hpp>
#include <boost/lexical_cast.hpp>

Go to the source code of this file.

Namespaces
namespace	RDKit
Classes
struct	RDKit::ltDouble
	functor to compare two doubles with a tolerance More...
struct	RDKit::larger_of< T >
	functor for returning the larger of two values More...
struct	RDKit::charptr_functor
	functor for comparing two strings More...
Typedefs
typedef long long int	RDKit::LONGINT
typedef unsigned int	RDKit::UINT
typedef unsigned short	RDKit::USHORT
typedef unsigned char	RDKit::UCHAR
typedef std::vector < int >	RDKit::INT_VECT
typedef INT_VECT::iterator	RDKit::INT_VECT_I
typedef INT_VECT::const_iterator	RDKit::INT_VECT_CI
typedef INT_VECT::reverse_iterator	RDKit::INT_VECT_RI
typedef INT_VECT::const_reverse_iterator	RDKit::INT_VECT_CRI
typedef std::list< int >	RDKit::INT_LIST
typedef INT_LIST::iterator	RDKit::INT_LIST_I
typedef INT_LIST::const_iterator	RDKit::INT_LIST_CI
typedef std::list < INT_VECT >	RDKit::LIST_INT_VECT
typedef LIST_INT_VECT::iterator	RDKit::LIST_INT_VECT_I
typedef LIST_INT_VECT::const_iterator	RDKit::LIST_INT_VECT_CI
typedef std::vector < INT_VECT >	RDKit::VECT_INT_VECT
typedef VECT_INT_VECT::iterator	RDKit::VECT_INT_VECT_I
typedef VECT_INT_VECT::const_iterator	RDKit::VECT_INT_VECT_CI
typedef std::vector < UINT > ::const_iterator	RDKit::UINT_VECT_CI
typedef std::vector < UINT >	RDKit::UINT_VECT
typedef std::vector < std::string > ::const_iterator	RDKit::STR_VECT_CI
typedef std::vector < std::string > ::iterator	RDKit::STR_VECT_I
typedef std::vector < std::string >	RDKit::STR_VECT
typedef std::vector < double >	RDKit::DOUBLE_VECT
typedef DOUBLE_VECT::iterator	RDKit::DOUBLE_VECT_I
typedef DOUBLE_VECT::const_iterator	RDKit::DOUBLE_VECT_CI
typedef std::vector < DOUBLE_VECT >	RDKit::VECT_DOUBLE_VECT
typedef VECT_DOUBLE_VECT::iterator	RDKit::VECT_DOUBLE_VECT_I
typedef VECT_DOUBLE_VECT::const_iterator	RDKit::VECT_DOUBLE_VECT_CI
typedef std::map < std::string, UINT >	RDKit::STR_UINT_MAP
typedef std::map < std::string, UINT > ::const_iterator	RDKit::STR_UINT_MAP_CI
typedef std::map < int, INT_VECT >	RDKit::INT_INT_VECT_MAP
typedef INT_INT_VECT_MAP::const_iterator	RDKit::INT_INT_VECT_MAP_CI
typedef std::map < int, int >	RDKit::INT_MAP_INT
typedef INT_MAP_INT::iterator	RDKit::INT_MAP_INT_I
typedef INT_MAP_INT::const_iterator	RDKit::INT_MAP_INT_CI
typedef std::deque< int >	RDKit::INT_DEQUE
typedef INT_DEQUE::iterator	RDKit::INT_DEQUE_I
typedef INT_DEQUE::const_iterator	RDKit::INT_DEQUE_CI
typedef std::map < int, INT_DEQUE >	RDKit::INT_INT_DEQ_MAP
typedef INT_INT_DEQ_MAP::const_iterator	RDKit::INT_INT_DEQ_MAP_CI
typedef std::set< int >	RDKit::INT_SET
typedef INT_SET::iterator	RDKit::INT_SET_I
typedef INT_SET::const_iterator	RDKit::INT_SET_CI
typedef std::map < double, int, ltDouble >	RDKit::DOUBLE_INT_MAP
	std::map from double to integer.
Functions
void	RDKit::Union (const INT_VECT &r1, const INT_VECT &r2, INT_VECT &res)
	calculate the union of two INT_VECTs and put the results in a third vector
void	RDKit::Intersect (const INT_VECT &r1, const INT_VECT &r2, INT_VECT &res)
	calculate the intersection of two INT_VECTs and put the results in a third vector
void	RDKit::Union (const VECT_INT_VECT &rings, INT_VECT &res, const INT_VECT *exclude=NULL)
	calculating the union of the INT_VECT's in a VECT_INT_VECT
int	RDKit::nextCombination (INT_VECT &comb, int tot)
	given a current combination of numbers change it to the next possible combination
double	RDKit::round (double v)
	rounds a value to the closest int
Variables
const double	RDKit::MAX_DOUBLE = std::numeric_limits<double>::max()
const double	RDKit::EPS_DOUBLE = std::numeric_limits<double>::epsilon()
const double	RDKit::SMALL_DOUBLE = 1.0e-8
const double	RDKit::MAX_INT = static_cast<double>(std::numeric_limits<int>::max())
const double	RDKit::MAX_LONGINT = static_cast<double>(std::numeric_limits<LONGINT>::max())
const double	RDKit::PI = 3.1415926535897931

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