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colvarparams Class Reference

\file colvarparams.h Functions to handle scalar parameters used in objects. More...

#include <colvarparams.h>

Inheritance diagram for colvarparams:

List of all members.

Public Methods
int	param_exists (std::string const &param_name)
	Whether the parameter param_name exists. More...
virtual std::vector< std::string >	get_param_names ()
	Get a copy of the names of registered parameters. More...
virtual std::vector< std::string >	get_param_grad_names ()
	Get a copy of the names of registered parameter gradients. More...
virtual void const *	get_param_ptr (std::string const &param_name)
	Pointer to the parameter param_name. More...
virtual void const *	get_param_grad_ptr (std::string const &param_name)
	Pointer to the gradient of parameter param_name. More...
virtual cvm::real	get_param (std::string const &param_name)
	Value of the parameter param_name (must be a scalar). More...
virtual int	set_param (std::string const &param_name, void const *new_value)
	Set the named parameter to the given value. More...
Protected Methods
	colvarparams ()
	Default constructor. More...
virtual	~colvarparams ()
	Default destructor. More...
void	register_param (std::string const &param_name, void *param_ptr)
	Register the given parameter. More...
void	register_param_grad (std::string const &param_name, colvarvalue *param_grad_ptr)
	Register the gradient of the given parameter. More...
Protected Attributes
std::map< std::string, void const * >	param_map
	Pointers to relevant parameters that may be accessed by other objects. More...
std::map< std::string, colvarvalue const * >	param_grad_map
	Derivatives of the object with respect to internal parameters. More...

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Detailed Description

\file colvarparams.h Functions to handle scalar parameters used in objects.

Definition at line 18 of file colvarparams.h.

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Constructor & Destructor Documentation

colvarparams::colvarparams (    )  [protected]

Default constructor. Definition at line 20 of file colvarparams.C.

colvarparams::~colvarparams (    )  [protected, virtual]

Default destructor. Definition at line 24 of file colvarparams.C.

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Member Function Documentation

cvm::real colvarparams::get_param (  std::string const &    param_name )  [virtual]

Value of the parameter param_name (must be a scalar). Definition at line 94 of file colvarparams.C. References get_param_ptr, and NULL.

std::vector< std::string > colvarparams::get_param_grad_names (    )  [virtual]

Get a copy of the names of registered parameter gradients. Definition at line 62 of file colvarparams.C. References param_grad_map, and result.

void const * colvarparams::get_param_grad_ptr (  std::string const &    param_name )  [virtual]

Pointer to the gradient of parameter param_name. Definition at line 83 of file colvarparams.C. References COLVARS_INPUT_ERROR, colvarmodule::error, NULL, and param_grad_map. Referenced by colvar::cvc::get_param_grad.

std::vector< std::string > colvarparams::get_param_names (    )  [virtual]

Get a copy of the names of registered parameters. Definition at line 51 of file colvarparams.C. References param_map, and result.

void const * colvarparams::get_param_ptr (  std::string const &    param_name )  [virtual]

Pointer to the parameter param_name. Definition at line 73 of file colvarparams.C. References COLVARS_INPUT_ERROR, colvarmodule::error, NULL, and param_map. Referenced by get_param.

int colvarparams::param_exists (  std::string const &    param_name )

Whether the parameter param_name exists. Definition at line 42 of file colvarparams.C. References COLVARS_INPUT_ERROR, and param_map.

void colvarparams::register_param (  std::string const &    param_name, void *    param_ptr )  [protected]

Register the given parameter. Definition at line 28 of file colvarparams.C. References param_map. Referenced by colvar::map_total::init, colvar::cvc::init, colvar::cvc::init_as_distance, and colvar::cvc::init_scalar_boundaries.

void colvarparams::register_param_grad (  std::string const &    param_name, colvarvalue *    param_grad_ptr )  [protected]

Register the gradient of the given parameter. Definition at line 35 of file colvarparams.C. References param_grad_map.

int colvarparams::set_param (  std::string const &    param_name, void const *    new_value )  [virtual]

Set the named parameter to the given value. Reimplemented in colvar::cvc. Definition at line 102 of file colvarparams.C. References COLVARS_INPUT_ERROR, COLVARS_NOT_IMPLEMENTED, colvarmodule::error, and param_map. Referenced by colvar::cvc::set_param.

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Member Data Documentation

std::map<std::string, colvarvalue const *> colvarparams::param_grad_map [protected]

Derivatives of the object with respect to internal parameters. Definition at line 55 of file colvarparams.h. Referenced by get_param_grad_names, get_param_grad_ptr, and register_param_grad.

std::map<std::string, void const *> colvarparams::param_map [protected]

Pointers to relevant parameters that may be accessed by other objects. Definition at line 52 of file colvarparams.h. Referenced by get_param_names, get_param_ptr, param_exists, register_param, set_param, and colvar::cvc::set_param.

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

• colvarparams.h
• colvarparams.C

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