LOOS 4.1.0
The Lightweight Object Oriented Structural analysis library/toolkit
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Public Member Functions | List of all members
ENM::HCA Class Reference

HCA method (bimodal distance-based function) More...

#include <spring_functions.hpp>

Inheritance diagram for ENM::HCA:
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Public Member Functions

 HCA (const double rc, const double a, const double b, const double c, const double d)
 
std::string name () const
 Name for this particular spring function.
 
Params setParams (const Params &p)
 Sets the internal constants, returning the unused ones.
 
bool validParams () const
 Determines if the internal constants are "valid".
 
uint paramSize () const
 How many internal constants there are.
 
double constantImpl (const loos::GCoord &u, const loos::GCoord &v, const loos::GCoord &d)
 Implementation of the spring constant calculation.
 
- Public Member Functions inherited from ENM::UniformSpringFunction
loos::DoubleMatrix constant (const loos::GCoord &u, const loos::GCoord &v, const loos::GCoord &d)
 Actually compute the spring constant as a 3x3 matrix.
 

Additional Inherited Members

- Public Types inherited from ENM::SpringFunction
typedef std::vector< double > Params
 
- Protected Member Functions inherited from ENM::SpringFunction
double checkConstant (double d)
 Check for negative spring-constants.
 

Detailed Description

HCA method (bimodal distance-based function)

See Hinsen et al, Chem Phys (2000) 261:25-37

Note: The defaults are the original Hinsen constants...

\begin{eqnarray*}
ar + b & \mbox{for} & r < r_c \\
c r^{-d} & \mbox{for} & r \geq r_c\\
\end{eqnarray*}

Member Function Documentation

◆ constantImpl()

double ENM::HCA::constantImpl ( const loos::GCoord & u,
const loos::GCoord & v,
const loos::GCoord & d )
inlinevirtual

Implementation of the spring constant calculation.

Implements ENM::UniformSpringFunction.

◆ name()

std::string ENM::HCA::name ( ) const
inlinevirtual

Name for this particular spring function.

Implements ENM::SpringFunction.

◆ paramSize()

uint ENM::HCA::paramSize ( ) const
inlinevirtual

How many internal constants there are.

Implements ENM::SpringFunction.

◆ setParams()

Params ENM::HCA::setParams ( const Params & konst)
inlinevirtual

Sets the internal constants, returning the unused ones.

Implements ENM::SpringFunction.

◆ validParams()

bool ENM::HCA::validParams ( ) const
inlinevirtual

Determines if the internal constants are "valid".

Implements ENM::SpringFunction.


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