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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:

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