IMPATOM_BEGIN_NAMESPACE

LangevinThermostatOptimizerState::LangevinThermostatOptimizerState(
    Model *m, ParticleIndexesAdaptor pis, Float temperature, double gamma)
    : OptimizerState(m, "LangevinThermostatOptimizerState%1%"),
      pis_(get_particles(m, pis)),
      temperature_(temperature),
      gamma_(gamma) {
  IMP_LOG_VERBOSE("Thermostat on " << pis_ << std::endl);
}
Example #2
0
IMPSYMMETRY_BEGIN_NAMESPACE

RigidBodyMover::RigidBodyMover(core::RigidBody d, Particles ps,
                               Float max_tr, Float max_ang,
                               algebra::Vector3Ds ctrs,
                               algebra::Transformation3Ds trs)
    : MonteCarloMover(d->get_model(), "RigidBodyMover%1%") {
  // master rigid body
  d_ = d;
  // list of slave particles
  ps_ = ps;
  // list of slave particles not member of rigid bodies
  ps_norb_ = get_particles(ps);
  // list of slave rigid bodies
  rbs_ = get_rigid_bodies(ps);
  // maximum translation
  max_tr_ = max_tr;
  // maximum rotation
  max_ang_ = max_ang;
  // list of all cell centers
  ctrs_ = ctrs;
  // list of transformation from primitive to all cells
  trs_ = trs;
}
Example #3
0
ModelObjectsTemp StateAdaptor::do_get_outputs() const {
  return get_particles(get_model(),
                               get_model()->get_particle_indexes());
}
Example #4
0
ModelObjectsTemp BoxSweepClosePairsFinder::do_get_inputs(
    Model *m, const ParticleIndexes &pis) const {
  return get_particles(m, pis);
}
ModelObjectsTemp NearestNeighborsClosePairsFinder::do_get_inputs(
    kernel::Model *m, const kernel::ParticleIndexes &pis) const {
  return get_particles(m, pis);
}