RDKit
Open-source cheminformatics and machine learning.
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Public Member Functions | Public Attributes | List of all members
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

◆ ~CrippenParams()

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

Member Data Documentation

◆ dp_pattern

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

Definition at line 80 of file Crippen.h.

◆ idx

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

Definition at line 81 of file Crippen.h.

◆ label

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

Definition at line 82 of file Crippen.h.

◆ logp

double RDKit::Descriptors::CrippenParams::logp

Definition at line 84 of file Crippen.h.

◆ mr

double RDKit::Descriptors::CrippenParams::mr

Definition at line 85 of file Crippen.h.

◆ smarts

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

Definition at line 83 of file Crippen.h.

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