Open-source cheminformatics and machine learning.
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 ROMoldp_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 74 of file Crippen.h.

Constructor & Destructor Documentation

RDKit::Descriptors::CrippenParams::~CrippenParams ( )

Member Data Documentation

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

Definition at line 76 of file Crippen.h.

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

Definition at line 77 of file Crippen.h.

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

Definition at line 78 of file Crippen.h.

double RDKit::Descriptors::CrippenParams::logp

Definition at line 80 of file Crippen.h.

double RDKit::Descriptors::CrippenParams::mr

Definition at line 81 of file Crippen.h.

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

Definition at line 79 of file Crippen.h.

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