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ForceFields::MMFF::MMFFCovRadPauEleCollection Class Reference

#include <Params.h>

Public Member Functions

const MMFFCovRadPauEleoperator() (const unsigned int atomicNum) const
 Looks up the parameters for a particular key and returns them. More...
 

Static Public Member Functions

static MMFFCovRadPauEleCollectiongetMMFFCovRadPauEle (const std::string &mmffCovRadPauEle="")
 gets a pointer to the singleton MMFFCovRadPauEleCollection More...
 

Detailed Description

Definition at line 687 of file MMFF/Params.h.

Member Function Documentation

static MMFFCovRadPauEleCollection* ForceFields::MMFF::MMFFCovRadPauEleCollection::getMMFFCovRadPauEle ( const std::string &  mmffCovRadPauEle = "")
static

gets a pointer to the singleton MMFFCovRadPauEleCollection

Parameters
mmffCovRadPauEle(optional) a string with parameter data. See below for more information about this argument
Returns
a pointer to the singleton MMFFCovRadPauEleCollection

Notes:

  • do not delete the pointer returned here
  • if the singleton MMFFCovRadPauEleCollection has already been instantiated and mmffCovRadPauEle is empty, the singleton will be returned.
  • if mmffCovRadPauEle is empty and the singleton MMFFCovRadPauEleCollection has not yet been instantiated, the default parameters (from Params.cpp) will be used.
  • if mmffCovRadPauEle is supplied, a new singleton will be instantiated. The current instantiation (if there is one) will be deleted.
const MMFFCovRadPauEle* ForceFields::MMFF::MMFFCovRadPauEleCollection::operator() ( const unsigned int  atomicNum) const
inline

Looks up the parameters for a particular key and returns them.

Returns
a pointer to the MMFFCovRadPauEle object, NULL on failure.

Definition at line 715 of file MMFF/Params.h.


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