ScriptInterface::Particles Namespace Reference

Classes
class	ParticleHandle
class	ParticleList
class	ParticleSlice
class	Polymer

Functions
void	initialize (Utils::Factory< ObjectHandle > *om)
static void	particle_checks (int p_id, Utils::Vector3d const &pos)
static uint8_t	bitfield_from_flag (Utils::Vector3i const &flag)
static auto	error_msg (std::string const &name, std::string const &reason)
static auto	quat2vector (Utils::Quaternion< double > const &q)
static auto	get_quaternion_safe (std::string const &name, Variant const &value)
static auto	get_gamma_safe (Variant const &value)
static auto	get_real_particle (boost::mpi::communicator const &comm, int p_id)
static void	local_add_exclusion (int pid1, int pid2)
	Locally add an exclusion to a particle.
static void	local_remove_exclusion (int pid1, int pid2)
	Locally remove an exclusion to a particle.
static void	set_exclusions (ParticleHandle &p, Variant const &exclusions)
static void	set_bonds (ParticleHandle &p, Variant const &bonds)
static void	auto_exclusions (boost::mpi::communicator const &comm, int const n_bonds_max)
	Use the bond topology to automatically add exclusions between particles that are up to n_bonds_max bonds apart in a chain.

Variables
static auto const	contradicting_arguments_quat

Function Documentation

auto_exclusions()

static void ScriptInterface::Particles::auto_exclusions ( boost::mpi::communicator const &  comm, int const  n_bonds_max  )

static

Use the bond topology to automatically add exclusions between particles that are up to n_bonds_max bonds apart in a chain.

Definition at line 129 of file ParticleList.cpp.

References add_exclusion(), auto_exclusions(), Utils::Mpi::gather_buffer(), System::get_system(), and u.

Referenced by auto_exclusions(), and ScriptInterface::Particles::ParticleList::do_call_method().

bitfield_from_flag()

static uint8_t ScriptInterface::Particles::bitfield_from_flag ( Utils::Vector3i const &  flag )

static

Definition at line 76 of file ParticleHandle.cpp.

References u.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle().

error_msg()

static auto ScriptInterface::Particles::error_msg ( std::string const &  name, std::string const &  reason  )

static

Definition at line 87 of file ParticleHandle.cpp.

Referenced by get_quaternion_safe(), and ScriptInterface::Particles::ParticleHandle::ParticleHandle().

get_gamma_safe()

static auto ScriptInterface::Particles::get_gamma_safe ( Variant const &  value )

static

Definition at line 106 of file ParticleHandle.cpp.

References Utils::Vector< T, N >::broadcast().

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle().

get_quaternion_safe()

static auto ScriptInterface::Particles::get_quaternion_safe ( std::string const &  name, Variant const &  value  )

static

Definition at line 97 of file ParticleHandle.cpp.

References error_msg().

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle().

get_real_particle()

static auto ScriptInterface::Particles::get_real_particle ( boost::mpi::communicator const &  comm, int  p_id  )

static

Definition at line 119 of file ParticleHandle.cpp.

References System::get_system().

Referenced by ScriptInterface::Particles::ParticleHandle::do_call_method().

initialize()

void ScriptInterface::Particles::initialize

(

Utils::Factory< ObjectHandle > *

om

)

Definition at line 30 of file particle_data/initialize.cpp.

References Utils::Factory< T >::register_new().

Referenced by ScriptInterface::initialize().

local_add_exclusion()

static void ScriptInterface::Particles::local_add_exclusion ( int  pid1, int  pid2  )

static

Locally add an exclusion to a particle.

Parameters

pid1	the identity of the first exclusion partner
pid2	the identity of the second exclusion partner

Definition at line 498 of file ParticleHandle.cpp.

References add_exclusion(), System::get_system(), and local_add_exclusion().

Referenced by ScriptInterface::Particles::ParticleHandle::do_call_method(), and local_add_exclusion().

local_remove_exclusion()

static void ScriptInterface::Particles::local_remove_exclusion ( int  pid1, int  pid2  )

static

Locally remove an exclusion to a particle.

Parameters

pid1	the identity of the first exclusion partner
pid2	the identity of the second exclusion partner

Definition at line 514 of file ParticleHandle.cpp.

References delete_exclusion(), System::get_system(), and local_remove_exclusion().

Referenced by ScriptInterface::Particles::ParticleHandle::do_call_method(), and local_remove_exclusion().

particle_checks()

static void ScriptInterface::Particles::particle_checks ( int  p_id, Utils::Vector3d const &  pos  )

static

Definition at line 64 of file ParticleHandle.cpp.

References pos.

Referenced by ScriptInterface::Particles::ParticleHandle::do_construct(), and ScriptInterface::Particles::ParticleHandle::ParticleHandle().

quat2vector()

static auto ScriptInterface::Particles::quat2vector ( Utils::Quaternion< double > const &  q )

static

Definition at line 93 of file ParticleHandle.cpp.

Referenced by ScriptInterface::Particles::ParticleHandle::do_call_method(), and ScriptInterface::Particles::ParticleHandle::ParticleHandle().

set_bonds()

static void ScriptInterface::Particles::set_bonds ( ParticleHandle &  p, Variant const &  bonds  )

static

Definition at line 56 of file ParticleList.cpp.

References ScriptInterface::ObjectHandle::call_method().

Referenced by ScriptInterface::Particles::ParticleList::set_internal_state().

set_exclusions()

static void ScriptInterface::Particles::set_exclusions ( ParticleHandle &  p, Variant const &  exclusions  )

static

Definition at line 51 of file ParticleList.cpp.

References ScriptInterface::ObjectHandle::call_method().

Referenced by ScriptInterface::Particles::ParticleList::do_call_method(), and ScriptInterface::Particles::ParticleList::set_internal_state().

Variable Documentation

contradicting_arguments_quat

auto const ScriptInterface::Particles::contradicting_arguments_quat

static

Initial value:

= std::vector<
    std::array<std::string, 3>>{{
    {{"dip", "dipm",
      "Setting 'dip' is sufficient as it defines the scalar dipole moment."}},
    {{"quat", "director",
      "Setting 'quat' is sufficient as it defines the director."}},
    {{"dip", "quat",
      "Setting 'dip' would overwrite 'quat'. Set 'quat' and 'dipm' instead."}},
    {{"dip", "director",
      "Setting 'dip' would overwrite 'director'. Set 'director' and "
      "'dipm' instead."}},
}}

Definition at line 711 of file ParticleHandle.cpp.

Referenced by ScriptInterface::Particles::ParticleHandle::do_construct().