ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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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, ::CellStructure &cell_structure)
 
static void local_add_exclusion (int pid1, int pid2, ::CellStructure &cell_structure)
 Locally add an exclusion to a particle.
 
static void local_remove_exclusion (int pid1, int pid2, ::CellStructure &cell_structure)
 Locally remove an exclusion to a particle.
 
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 57 of file ParticleList.cpp.

References add_exclusion(), Utils::Mpi::gather_buffer(), System::get_system(), and ScriptInterface::get_value().

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

◆ bitfield_from_flag()

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

◆ error_msg()

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

◆ get_gamma_safe()

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

◆ get_quaternion_safe()

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

◆ get_real_particle()

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

◆ initialize()

void ScriptInterface::Particles::initialize ( Utils::Factory< ObjectHandle > *  om)

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

References ScriptInterface::get_value().

Referenced by ScriptInterface::initialize().

◆ local_add_exclusion()

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

Locally add an exclusion to a particle.

Parameters
pid1the identity of the first exclusion partner
pid2the identity of the second exclusion partner
cell_structurethe cell structure

Definition at line 509 of file ParticleHandle.cpp.

References add_exclusion(), CellStructure::get_local_particle(), 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,
::CellStructure cell_structure 
)
static

Locally remove an exclusion to a particle.

Parameters
pid1the identity of the first exclusion partner
pid2the identity of the second exclusion partner
cell_structurethe cell structure

Definition at line 525 of file ParticleHandle.cpp.

References delete_exclusion(), CellStructure::get_local_particle(), 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

◆ quat2vector()

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 744 of file ParticleHandle.cpp.