Comp2Param Class Reference

#include <Comp2Param.h>

Public Member Functions
	Comp2Param ()
	Comp2Param (const std::vector< Component > &components, const std::vector< double > &mixcoeff, double epsRF, double rc, double rcLJ)
ParaStrm &	operator() (unsigned int i, unsigned int j)
void	initialize (const std::vector< Component > &components, const std::vector< double > &mixcoeff, double epsRF, double rc, double rcLJ)
	Initialize the parameter streams for each component-component table entry. More...

Detailed Description

Comp2Param provides a flexible hash table interface to interaction parameter streams.

Author

Martin Bernreuther bernr.nosp@m.euth.nosp@m.er@hl.nosp@m.rs.d.nosp@m.e et al. (2010)

Constructor & Destructor Documentation

Comp2Param() [1/2]

Comp2Param::Comp2Param ( )

inline

Create a new empty parameter stream.

Comp2Param() [2/2]

Comp2Param::Comp2Param ( const std::vector< Component > &  components, const std::vector< double > &  mixcoeff, double  epsRF, double  rc, double  rcLJ  )

inline

Create a new interaction parameter hash table initialized with the given components and parameters.

Member Function Documentation

initialize()

void Comp2Param::initialize	(	const std::vector< Component > &	components,
		const std::vector< double > &	mixcoeff,
		double	epsRF,
		double	rc,
		double	rcLJ
	)

Initialize the parameter streams for each component-component table entry.

The order of the entries must correspond to the PotForce() function found in potforce.h reading the stream

operator()()

ParaStrm& Comp2Param::operator() ( unsigned int  i, unsigned int  j  )

inline

Get parameter stream for the interaction between component i and j.

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

• src/molecules/Comp2Param.h
• src/molecules/Comp2Param.cpp