RDKit::Descriptors::CrippenParams Class Reference

a class used to store Crippen parameters More...

#include <Crippen.h>

Public Member Functions
	~CrippenParams ()

Public Attributes
boost::shared_ptr< const ROMol >	dp_pattern
unsigned int	idx
std::string	label
std::string	smarts
double	logp
double	mr

Detailed Description

a class used to store Crippen parameters

Definition at line 78 of file Crippen.h.

Constructor & Destructor Documentation

RDKit::Descriptors::CrippenParams::~CrippenParams

(

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Member Data Documentation

boost::shared_ptr<const ROMol> RDKit::Descriptors::CrippenParams::dp_pattern

Definition at line 80 of file Crippen.h.

unsigned int RDKit::Descriptors::CrippenParams::idx

Definition at line 81 of file Crippen.h.

std::string RDKit::Descriptors::CrippenParams::label

Definition at line 82 of file Crippen.h.

double RDKit::Descriptors::CrippenParams::logp

Definition at line 84 of file Crippen.h.

double RDKit::Descriptors::CrippenParams::mr

Definition at line 85 of file Crippen.h.

std::string RDKit::Descriptors::CrippenParams::smarts

Definition at line 83 of file Crippen.h.

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The documentation for this class was generated from the following file:

• Crippen.h