RDKit::Descriptors::CrippenParamCollection Class Reference

singleton class for retrieving Crippen parameters More...

#include <Crippen.h>

List of all members.

Public Types
typedef std::vector < CrippenParams >	ParamsVect
Public Member Functions
ParamsVect::const_iterator	begin () const
ParamsVect::const_iterator	end () const
Static Public Member Functions
static CrippenParamCollection *	getParams (const std::string &paramData="")

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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 95 of file Crippen.h.

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Member Typedef Documentation

typedef std::vector<CrippenParams> RDKit::Descriptors::CrippenParamCollection::ParamsVect

Definition at line 97 of file Crippen.h.

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Member Function Documentation

ParamsVect::const_iterator RDKit::Descriptors::CrippenParamCollection::begin

(

)

const [inline]

Definition at line 99 of file Crippen.h.

ParamsVect::const_iterator RDKit::Descriptors::CrippenParamCollection::end

(

)

const [inline]

Definition at line 100 of file Crippen.h.

static CrippenParamCollection* RDKit::Descriptors::CrippenParamCollection::getParams

(

const std::string &

paramData = ""

)

[static]

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

• Crippen.h