doc/html/Activate_8h_source.html

 #ifndef MCMD_ACTIVATE_H
 #define MCMD_ACTIVATE_H

 /*
 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
 *
 * Copyright 2010 - 2017, The Regents of the University of Minnesota
 * Distributed under the terms of the GNU General Public License.
 */

 namespace McMd
 {

    class Atom;
    class Molecule;

    class Activate
    {

    public:

       static void deactivate(Atom& atom);

       static void reactivate(Atom& atom);

       static void activate(Molecule& molecule);

    };

 }
 #endif
McMd::Activate
Static member functions to de-active and re-active atoms.
Definition: Activate.h:41

McMd::Activate::activate
static void activate(Molecule &molecule)
Activate all atoms and groups in one molecule.
Definition: Activate.cpp:126

McMd::Activate::reactivate
static void reactivate(Atom &atom)
Re-activate a temporarily de-activated atom and update groups.
Definition: Activate.cpp:77

McMd::Atom
A point particle within a Molecule.
Definition: mcMd/chemistry/Atom.h:79

McMd
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Definition: simp/species/Species.h:16

McMd::Molecule
A physical molecule (a set of covalently bonded Atoms).
Definition: mcMd/chemistry/Molecule.h:42

McMd::Activate::deactivate
static void deactivate(Atom &atom)
Temporarily de-activate one atom and update associated groups.
Definition: Activate.cpp:31