---

colvarbias_restraint_centers Class Reference

Definition and parsing of the restraint centers. More...

#include <colvarbias_restraint.h>

Inheritance diagram for colvarbias_restraint_centers:

List of all members.

Public Methods
	colvarbias_restraint_centers (char const *key)
virtual int	init (std::string const &conf)
	\brief Parse config string and (re)initialize. More...
virtual int	change_configuration (std::string const &conf)
	Load new configuration - force constant and/or centers only. More...
Protected Attributes
std::vector< colvarvalue >	colvar_centers
	\brief Restraint centers. More...

---

Detailed Description

Definition and parsing of the restraint centers.

Definition at line 68 of file colvarbias_restraint.h.

---

Constructor & Destructor Documentation

colvarbias_restraint_centers::colvarbias_restraint_centers (  char const *    key )

Definition at line 96 of file colvarbias_restraint.C.

---

Member Function Documentation

int colvarbias_restraint_centers::change_configuration (  std::string const &    conf )  [virtual]

Load new configuration - force constant and/or centers only. Reimplemented from colvarbias_restraint. Reimplemented in colvarbias_restraint_centers_moving. Definition at line 142 of file colvarbias_restraint.C. References colvar_centers, conf, colvarparse::get_keyval, colvarbias::num_variables, and colvarbias::variables. Referenced by colvarbias_restraint_harmonic::change_configuration.

int colvarbias_restraint_centers::init (  std::string const &    conf )  [virtual]

\brief Parse config string and (re)initialize. Reimplemented from colvarbias_restraint. Reimplemented in colvarbias_restraint_centers_moving. Definition at line 102 of file colvarbias_restraint.C. References colvar_centers, COLVARS_INPUT_ERROR, conf, colvarmodule::debug, colvarmodule::error, colvarparse::get_keyval, colvarmodule::log, colvarbias::num_variables, and colvarbias::variables. Referenced by colvarbias_restraint_centers_moving::init.

---

Member Data Documentation

std::vector<colvarvalue> colvarbias_restraint_centers::colvar_centers [protected]

\brief Restraint centers. Definition at line 80 of file colvarbias_restraint.h. Referenced by change_configuration, colvarbias_restraint_linear::d_restraint_potential_dk, colvarbias_restraint_harmonic::d_restraint_potential_dk, colvarbias_restraint_harmonic::energy_difference, colvarbias_restraint_centers_moving::get_state_params, colvarbias_restraint_centers_moving::init, init, colvarbias_restraint_harmonic::restraint_force, colvarbias_restraint_linear::restraint_potential, colvarbias_restraint_harmonic::restraint_potential, colvarbias_restraint_centers_moving::set_state_params, colvarbias_restraint_centers_moving::update, colvarbias_restraint_centers_moving::update_centers, and colvarbias_restraint_centers_moving::write_traj.

---

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

• colvarbias_restraint.h
• colvarbias_restraint.C

---