RDKit
Open-source cheminformatics and machine learning.
RDKit::Descriptors::CrippenParamCollection Class Reference

singleton class for retrieving Crippen parameters More...

#include <Crippen.h>

Public Types

typedef std::vector< CrippenParamsParamsVect
 

Public Member Functions

ParamsVect::const_iterator begin () const
 
ParamsVect::const_iterator end () const
 
 CrippenParamCollection (const std::string &paramData)
 

Static Public Member Functions

static const CrippenParamCollectiongetParams (const std::string &paramData="")
 

Detailed Description

singleton class for retrieving Crippen parameters

Use the singleton like this:

CrippenParamCollection *params=CrippenParamCollection::getParams();

If you have your own parameter data, it can be supplied as a string:

CrippenParamCollection *params=CrippenParamCollection::getParams(myParamData);

You are responsible for making sure that the data is in the correct format (see Crippen.cpp for an example).

Definition at line 118 of file Crippen.h.

Member Typedef Documentation

Definition at line 120 of file Crippen.h.

Constructor & Destructor Documentation

RDKit::Descriptors::CrippenParamCollection::CrippenParamCollection ( const std::string &  paramData)

Member Function Documentation

ParamsVect::const_iterator RDKit::Descriptors::CrippenParamCollection::begin ( ) const
inline

Definition at line 123 of file Crippen.h.

ParamsVect::const_iterator RDKit::Descriptors::CrippenParamCollection::end ( ) const
inline

Definition at line 124 of file Crippen.h.

References RDKit::paramData.

static const CrippenParamCollection* RDKit::Descriptors::CrippenParamCollection::getParams ( const std::string &  paramData = "")
static

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