diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 4fb367aeb7..ee8c2fe7f7 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -470,6 +470,7 @@ run_tutorials: paths: - build/doc/tutorials expire_in: 1 week + timeout: 2h tags: - espresso - cuda diff --git a/src/python/espressomd/constraints.py b/src/python/espressomd/constraints.py index eb0dba268c..808c26db0b 100644 --- a/src/python/espressomd/constraints.py +++ b/src/python/espressomd/constraints.py @@ -183,8 +183,19 @@ def total_normal_force(self): @script_interface_register class HomogeneousMagneticField(Constraint): - """ + Homogeneous magnetic field :math:`\\vec{H}`. + The resulting force :math:`\\vec{F}`, torque :math:`\\vec{\\tau}` + and energy `U` on the particles are then + + :math:`\\vec{F} = \\vec{0}` + + :math:`\\vec{\\tau} = \\vec{\\mu} \\times \\vec{H}` + + :math:`U = -\\vec{\\mu} \\cdot \\vec{H}` + + where :math:`\\vec{\\mu}` and :math:`\\vec{r}` are the particle dipole moment and position. + Attributes ---------- H : (3,) array_like of :obj:`float` @@ -393,12 +404,12 @@ class Gravity(Constraint): """ Gravity force - :math:`F = m \\cdot g` + :math:`\\vec{F} = m \\cdot \\vec{g}` Arguments ---------- g : (3,) array_like of :obj:`float` - The gravitational acceleration. + The gravitational constant. """ @@ -420,21 +431,20 @@ class LinearElectricPotential(Constraint): """ Electric potential of the form - :math:`\\phi = -E \\cdot x + \\phi_0`, + :math:`\\phi = -\\vec{E} \\cdot \\vec{r} + \\phi_0`, - resulting in the electric field E - everywhere. (E.g. in a plate capacitor). + resulting in the electric field :math:`\\vec{E}` everywhere. The resulting force on the particles are then - :math:`F = q \\cdot E` + :math:`\\vec{F} = q \\cdot \\vec{E}` - where :math:`q` is the charge of the particle. + where :math:`q` and :math:`\\vec{r}` are the particle charge and position. + This can be used to model a plate capacitor. Arguments ---------- E : array_like of :obj:`float` The electric field. - phi0 : :obj:`float` The potential at the origin @@ -463,15 +473,15 @@ class ElectricPlaneWave(Constraint): """ Electric field of the form - :math:`E = E0 \\cdot \\sin(k \\cdot x + \\omega \\cdot t + \\phi)` + :math:`\\vec{E} = \\vec{E_0} \\cdot \\sin(\\vec{k} \\cdot \\vec{r} + \\omega \\cdot t + \\phi)` The resulting force on the particles are then - :math:`F = q \\cdot E` + :math:`\\vec{F} = q \\cdot \\vec{E}` - where :math:`q` is the charge of the particle. + where :math:`q` and :math:`\\vec{r}` are the particle charge and position. This can be used to generate a homogeneous AC - field by setting k to zero. + field by setting :math:`\\vec{k}` to the null vector. Arguments ---------- @@ -482,7 +492,7 @@ class ElectricPlaneWave(Constraint): omega : :obj:`float` Frequency of the wave phi : :obj:`float`, optional - Phase shift + Phase """ @@ -520,9 +530,10 @@ class FlowField(_Interpolated): Viscous coupling to a flow field that is interpolated from tabulated data like - :math:`F = -\\gamma \\cdot \\left( u(r) - v \\right)` + :math:`\\vec{F} = -\\gamma \\cdot \\left( \\vec{u}(\\vec{r}) - \\vec{v} \\right)` - where :math:`v` is the velocity of the particle. + where :math:`\\vec{v}` and :math:`\\vec{r}` are the particle velocity and position, + and :math:`\\vec{u}(\\vec{r})` is a 3D flow field on a grid. Arguments ---------- @@ -549,9 +560,10 @@ class HomogeneousFlowField(Constraint): Viscous coupling to a flow field that is constant in space with the force - :math:`F = -\\gamma \\cdot (u - v)` + :math:`\\vec{F} = -\\gamma \\cdot (\\vec{u} - \\vec{v})` - where :math:`v` is the velocity of the particle. + where :math:`\\vec{v}` is the velocity of the particle + and :math:`\\vec{u}` is the constant flow field. Attributes ---------- @@ -580,11 +592,11 @@ class ElectricPotential(_Interpolated): """ Electric potential interpolated from - provided data. The electric field E is + provided data. The electric field :math:`\\vec{E}` is calculated numerically from the potential, and the resulting force on the particles are - :math:`F = q \\cdot E` + :math:`\\vec{F} = q \\cdot \\vec{E}` where :math:`q` is the charge of the particle. diff --git a/src/python/espressomd/observables.py b/src/python/espressomd/observables.py index 48b5614b4c..c13597e587 100644 --- a/src/python/espressomd/observables.py +++ b/src/python/espressomd/observables.py @@ -28,7 +28,7 @@ class Observable(ScriptInterfaceHelper): Methods ------- shape() - Return the shape of the observable. + Get the shape of the numpy array returned by the observable. """ _so_name = "Observables::Observable" _so_bind_methods = ("shape",) @@ -96,9 +96,14 @@ class ComPosition(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ComPosition" @@ -118,9 +123,14 @@ class ComVelocity(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ComVelocity" @@ -154,9 +164,14 @@ class DensityProfile(ProfileObservable): max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (``n_x_bins``, ``n_y_bins``, ``n_z_bins``) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::DensityProfile" @@ -165,7 +180,7 @@ class DensityProfile(ProfileObservable): @script_interface_register class DipoleMoment(Observable): - """Calculates the dipole moment for particles with given ids. + """Calculates the electric dipole moment for particles with given ids. Output format: :math:`\\left(\\sum_i q_i r^x_i, \\sum_i q_i r^y_i, \\sum_i q_i r^z_i\\right)` @@ -174,9 +189,14 @@ class DipoleMoment(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::DipoleMoment" @@ -210,11 +230,16 @@ class FluxDensityProfile(ProfileObservable): max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_x_bins``, ``n_y_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the x, y and z - components of the flux density. + calculate() + Run the observable. + + Returns + ------- + (``n_x_bins``, ``n_y_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the x, + y and z components of the flux density, respectively. """ _so_name = "Observables::FluxDensityProfile" @@ -248,11 +273,16 @@ class ForceDensityProfile(ProfileObservable): max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_x_bins``, ``n_y_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the x, y and z - components of the force. + calculate() + Run the observable. + + Returns + ------- + (``n_x_bins``, ``n_y_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the x, + y and z components of the force, respectively. """ _so_name = "Observables::ForceDensityProfile" @@ -302,11 +332,16 @@ class LBVelocityProfile(ProfileObservable): allow_empty_bins : :obj:`bool`, default=False Whether or not to allow bins that will not be sampled at all. - Returns + Methods ------- - (``n_x_bins``, ``n_y_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the x, y and z - components of the LB velocity. + calculate() + Run the observable. + + Returns + ------- + (``n_x_bins``, ``n_y_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the x, + y and z components of the LB velocity, respectively. """ _so_name = "Observables::LBVelocityProfile" @@ -321,9 +356,14 @@ class LBFluidPressureTensor(Observable): ---------- None - Returns + Methods ------- - (3, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::LBFluidPressureTensor" @@ -341,9 +381,14 @@ class MagneticDipoleMoment(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::MagneticDipoleMoment" @@ -363,9 +408,14 @@ class ParticleAngularVelocities(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleAngularVelocities" @@ -388,9 +438,14 @@ class ParticleBodyAngularVelocities(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleBodyAngularVelocities" @@ -413,9 +468,14 @@ class ParticleBodyVelocities(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleBodyVelocities" @@ -435,9 +495,14 @@ class ParticleForces(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleForces" @@ -457,9 +522,14 @@ class ParticlePositions(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticlePositions" @@ -479,9 +549,14 @@ class ParticleVelocities(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleVelocities" @@ -492,7 +567,7 @@ class ParticleDirectors(Observable): """Calculates the particle directors for particles with given ids. - Output format: :math:`(d1_x,\\ d1_y,\\ d1_z),\\ (d2_x,\\ d2_y,\\ d2_z),\\ \\dots,\\ (dn_x,\\ dn_y,\\ dn_z)`. + Output format: :math:`(d^x_1,\\ d^y_1,\\ d^z_1),\\ (d^x_2,\\ d^y_2,\\ d^z_2),\\ \\dots,\\ (d^x_n,\\ d^y_n,\\ d^z_n)`. The particles are ordered according to the list of ids passed to the observable. @@ -501,9 +576,14 @@ class ParticleDirectors(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleDirectors" @@ -514,7 +594,7 @@ class ParticleDipoleFields(Observable): """Calculates the particle dipole fields for particles with given ids. - Output format: :math:`(h_d1_x,\\ h_d1_y,\\ h_d1_z),\\ (h_d2_x,\\ h_d2_y,\\ h_d2_z),\\ \\dots,\\ (h_dn_x,\\ h_dn_y,\\ h_dn_z)`. + Output format: :math:`(h^x_1,\\ h^y_1,\\ h^z_1),\\ (h^x_2,\\ h^y_2,\\ h^z_2),\\ \\dots,\\ (h^x_n,\\ h^y_n,\\ h^z_n)`. The particles are ordered according to the list of ids passed to the observable. @@ -523,9 +603,14 @@ class ParticleDipoleFields(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleDipoleFields" @@ -542,9 +627,14 @@ class ParticleDistances(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N - 1,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N - 1,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::ParticleDistances" @@ -564,9 +654,14 @@ class TotalForce(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::TotalForce" @@ -583,9 +678,14 @@ class BondAngles(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N - 2,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N - 2,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::BondAngles" @@ -604,9 +704,14 @@ class CosPersistenceAngles(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N - 2,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N - 2,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::CosPersistenceAngles" @@ -623,9 +728,14 @@ class BondDihedrals(Observable): ids : array_like of :obj:`int` The ids of (existing) particles to take into account. - Returns + Methods ------- - (N - 3,) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (N - 3,) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::BondDihedrals" @@ -636,9 +746,14 @@ class Energy(Observable): """Calculates the total energy. - Returns + Methods ------- - :obj:`float` + calculate() + Run the observable. + + Returns + ------- + :obj:`float` """ _so_name = "Observables::Energy" @@ -649,9 +764,14 @@ class Pressure(Observable): """Calculates the total scalar pressure. - Returns + Methods ------- - :obj:`float` + calculate() + Run the observable. + + Returns + ------- + :obj:`float` """ _so_name = "Observables::Pressure" @@ -662,9 +782,14 @@ class PressureTensor(Observable): """Calculates the total pressure tensor. - Returns + Methods ------- - (3, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::PressureTensor" @@ -680,9 +805,14 @@ class DPDStress(Observable): ---------- None - Returns + Methods ------- - (3, 3) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (3, 3) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::DPDStress" @@ -707,20 +837,25 @@ class CylindricalDensityProfile(CylindricalProfileObservable): Number of bins in ``z`` direction. min_r : :obj:`float`, default = 0 Minimum ``r`` to consider. - min_phi : :obj:`float`, default = -pi - Minimum ``phi`` to consider. Must be in [-pi,pi). + min_phi : :obj:`float`, default = :math:`-\\pi` + Minimum ``phi`` to consider. Must be in :math:`[-\\pi,\\pi)`. min_z : :obj:`float` Minimum ``z`` to consider. max_r : :obj:`float` Maximum ``r`` to consider. - max_phi : :obj:`float`, default = pi - Maximum ``phi`` to consider. Must be in (-pi,pi]. + max_phi : :obj:`float`, default = :math:`\\pi` + Maximum ``phi`` to consider. Must be in :math:`(-\\pi,\\pi]`. max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``) :obj:`ndarray` of :obj:`float` + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``) :obj:`ndarray` of :obj:`float` """ _so_name = "Observables::CylindricalDensityProfile" @@ -745,22 +880,28 @@ class CylindricalFluxDensityProfile(CylindricalProfileObservable): Number of bins in ``z`` direction. min_r : :obj:`float`, default = 0 Minimum ``r`` to consider. - min_phi : :obj:`float`, default = -pi - Minimum ``phi`` to consider. Must be in [-pi,pi). + min_phi : :obj:`float`, default = :math:`-\\pi` + Minimum ``phi`` to consider. Must be in :math:`[-\\pi,\\pi)`. min_z : :obj:`float` Minimum ``z`` to consider. max_r : :obj:`float` Maximum ``r`` to consider. - max_phi : :obj:`float`, default = pi - Maximum ``phi`` to consider. Must be in (-pi,pi]. + max_phi : :obj:`float`, default = :math:`\\pi` + Maximum ``phi`` to consider. Must be in :math:`(-\\pi,\\pi]`. max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the radial distance, - azimuth and axial coordinate of the particle flux density field. + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the + radial distance, azimuth and axial coordinate of the particle + flux density field, respectively. """ _so_name = "Observables::CylindricalFluxDensityProfile" @@ -787,22 +928,28 @@ class CylindricalLBFluxDensityProfileAtParticlePositions( Number of bins in ``z`` direction. min_r : :obj:`float`, default = 0 Minimum ``r`` to consider. - min_phi : :obj:`float`, default = -pi - Minimum ``phi`` to consider. Must be in [-pi,pi). + min_phi : :obj:`float`, default = :math:`-\\pi` + Minimum ``phi`` to consider. Must be in :math:`[-\\pi,\\pi)`. min_z : :obj:`float` Minimum ``z`` to consider. max_r : :obj:`float` Maximum ``r`` to consider. - max_phi : :obj:`float`, default = pi - Maximum ``phi`` to consider. Must be in (-pi,pi]. + max_phi : :obj:`float`, default = :math:`\\pi` + Maximum ``phi`` to consider. Must be in :math:`(-\\pi,\\pi]`. max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the radial distance, - azimuth and axial coordinate of the LB flux density field. + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the + radial distance, azimuth and axial coordinate of the LB flux + density field, respectively. """ _so_name = "Observables::CylindricalLBFluxDensityProfileAtParticlePositions" @@ -829,22 +976,28 @@ class CylindricalLBVelocityProfileAtParticlePositions( Number of bins in ``z`` direction. min_r : :obj:`float`, default = 0 Minimum ``r`` to consider. - min_phi : :obj:`float`, default = -pi - Minimum ``phi`` to consider. Must be in [-pi,pi). + min_phi : :obj:`float`, default = :math:`-\\pi` + Minimum ``phi`` to consider. Must be in :math:`[-\\pi,\\pi)`. min_z : :obj:`float` Minimum ``z`` to consider. max_r : :obj:`float` Maximum ``r`` to consider. - max_phi : :obj:`float`, default = pi - Maximum ``phi`` to consider. Must be in (-pi,pi]. + max_phi : :obj:`float`, default = :math:`\\pi` + Maximum ``phi`` to consider. Must be in :math:`(-\\pi,\\pi]`. max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the radial distance, - azimuth and axial coordinate of the LB velocity field. + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the + radial distance, azimuth and axial coordinate of the LB velocity + field, respectively. """ _so_name = "Observables::CylindricalLBVelocityProfileAtParticlePositions" @@ -869,22 +1022,28 @@ class CylindricalVelocityProfile(CylindricalProfileObservable): Number of bins in ``z`` direction. min_r : :obj:`float`, default = 0 Minimum ``r`` to consider. - min_phi : :obj:`float`, default = -pi - Minimum ``phi`` to consider. Must be in [-pi,pi). + min_phi : :obj:`float`, default = :math:`-\\pi` + Minimum ``phi`` to consider. Must be in :math:`[-\\pi,\\pi)`. min_z : :obj:`float` Minimum ``z`` to consider. max_r : :obj:`float` Maximum ``r`` to consider. - max_phi : :obj:`float`, default = pi - Maximum ``phi`` to consider. Must be in (-pi,pi]. + max_phi : :obj:`float`, default = :math:`\\pi` + Maximum ``phi`` to consider. Must be in :math:`(-\\pi,\\pi]`. max_z : :obj:`float` Maximum ``z`` to consider. - Returns + Methods ------- - (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the radial distance, - azimuth and axial coordinate of the particle velocity field. + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the + radial distance, azimuth and axial coordinate of the particle + velocity field, respectively. """ _so_name = "Observables::CylindricalVelocityProfile" @@ -911,24 +1070,30 @@ class CylindricalLBVelocityProfile(CylindricalProfileObservable): Number of bins in ``z`` direction. min_r : :obj:`float`, default = 0 Minimum ``r`` to consider. - min_phi : :obj:`float`, default = -pi - Minimum ``phi`` to consider. Must be in [-pi,pi). + min_phi : :obj:`float`, default = :math:`-\\pi` + Minimum ``phi`` to consider. Must be in :math:`[-\\pi,\\pi)`. min_z : :obj:`float` Minimum ``z`` to consider. max_r : :obj:`float` Maximum ``r`` to consider. - max_phi : :obj:`float`, default = pi - Maximum ``phi`` to consider. Must be in (-pi,pi]. + max_phi : :obj:`float`, default = :math:`\\pi` + Maximum ``phi`` to consider. Must be in :math:`(-\\pi,\\pi]`. max_z : :obj:`float` Maximum ``z`` to consider. sampling_density : :obj:`float` Samples per unit volume for the LB velocity interpolation. - Returns + Methods ------- - (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` - The fourth component contains the histogram for the radial distance, - azimuth and axial coordinate of the LB velocity field. + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``, ``n_phi_bins``, ``n_z_bins``, 3) :obj:`ndarray` of :obj:`float` + The fourth dimension of the array stores the histogram for the + radial distance, azimuth and axial coordinate of the LB velocity + field, respectively. """ _so_name = "Observables::CylindricalLBVelocityProfile" @@ -954,10 +1119,15 @@ class RDF(Observable): max_r : :obj:`float` Maximum ``r`` to consider. - Returns + Methods ------- - (``n_r_bins``,) :obj:`ndarray` of :obj:`float` - The RDF. + calculate() + Run the observable. + + Returns + ------- + (``n_r_bins``,) :obj:`ndarray` of :obj:`float` + The RDF. """ _so_name = "Observables::RDF"