ParticleList and ParticleTypeList

mechanica.ParticleList

alias of mechanica.mechanica.MxParticleList

class mechanica.MxParticleList(*args)

A special list with convenience methods for working with sets of particles.

property virial

Virial tensor of particles in list

property radius_of_gyration

Radius of gyration of particles in list

property center_of_mass

Center of mass of particles in list

property centroid

Centroid of particles in list

property moment_of_inertia

Moment of inertia of particles in list

property positions

Position of each particle in list

property velocities

Velocity of each particle in list

property forces

Net forces acting on each particle in list

__len__() int
__getitem__(i: int)
insert(*args) uint16_t

Inserts the given particle into the list, returns the index of the item.

Parameters

particle (MxParticleHandle) – particle to insert

Return type

int

Returns

uint16_t

remove(id: int32_t) uint16_t

looks for the item with the given id and deletes it form the list

Parameters

id (int) – id to remove

Return type

int

Returns

uint16_t

extend(other: MxParticleList) void

inserts the contents of another list

Parameters

other (MxParticleList) – another list

item(i: int32_t const &) MxParticleHandle *

looks for the item at the given index and returns it if found, otherwise returns NULL

Parameters

i (int) – index of lookup

Return type

MxParticleHandle

Returns

MxParticleHandle*

static all() MxParticleList *

returns an instance populated with all current particles

Return type

MxParticleList

Returns

MxParticleList*

sphericalPositions(origin: MxVector3f = None) std::vector< MxVector3f,std::allocator< MxVector3f > >

Get the spherical coordinates of each particle

Parameters

origin (MxVector3f) – optional origin of coordinates; default is center of universe

Return type

std::vector< MxVector3f,std::allocator< MxVector3f > >

Returns

std::vector<MxVector3f>

toString() std::string

Get a JSON string representation

Return type

string

Returns

std::string

static fromString(str: std::string const &) MxParticleList *

Create from a JSON string representation

Parameters

str (string) –

Return type

MxParticleList

Returns

MxParticleList*

__reduce__()

Helper for pickle.

mechanica.ParticleTypeList

alias of mechanica.mechanica.MxParticleTypeList

class mechanica.MxParticleTypeList(*args)

A special list with convenience methods for working with sets of particle types.

property virial

Virial tensor of particles corresponding to all types in list

property radius_of_gyration

Radius of gyration of particles corresponding to all types in list

property center_of_mass

Center of mass of particles corresponding to all types in list

property centroid

Centroid of particles corresponding to all types in list

property moment_of_inertia

Moment of inertia of particles corresponding to all types in list

property positions

Position of each particle corresponding to all types in list

property velocities

Velocity of each particle corresponding to all types in list

property forces

Total net force acting on each particle corresponding to all types in list

__len__() int
__getitem__(i: int)
insert(*args) uint16_t

Inserts the given particle type into the list, returns the index of the item.

Parameters

ptype (MxParticleType) –

Return type

int

Returns

uint16_t

remove(id: int32_t) uint16_t

looks for the item with the given id and deletes it form the list

Parameters

id (int) – id to remove

Return type

int

Returns

uint16_t

extend(other: MxParticleTypeList) void

inserts the contents of another list

Parameters

other (MxParticleTypeList) – another list

item(i: int32_t const &) MxParticleType *

looks for the item at the given index and returns it if found, otherwise returns NULL

Parameters

i (int) – index of lookup

Return type

MxParticleType

Returns

MxParticleType*

static all() MxParticleTypeList *

returns an instance populated with all current particle types

Return type

MxParticleTypeList

Returns

MxParticleTypeList*

sphericalPositions(origin: MxVector3f = None) std::vector< MxVector3f,std::allocator< MxVector3f > >

Get the spherical coordinates of each particle

Parameters

origin (MxVector3f) – optional origin of coordinates; default is center of universe

Return type

std::vector< MxVector3f,std::allocator< MxVector3f > >

Returns

std::vector<MxVector3f>

toString() std::string

Get a JSON string representation

Return type

string

Returns

std::string

static fromString(str: std::string const &) MxParticleTypeList *

Create from a JSON string representation

Parameters

str (string) –

Return type

MxParticleTypeList

Returns

MxParticleTypeList*

__reduce__()

Helper for pickle.