IMP::core::XYZ Class Reference

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Detailed Description

A a decorator for a particle with x,y,z coordinates.

import IMP
import IMP.core
import IMP.algebra

m= IMP.Model()
p0= IMP.Particle(m)
d0= IMP.core.XYZ.setup_particle(p0, IMP.algebra.Vector3D(0,1,2))
p1= IMP.Particle(m)
d1= IMP.core.XYZ.setup_particle(p1)
d1.set_coordinates(IMP.algebra.Vector3D(3,4,5))

print IMP.core.get_distance(d0, d1)

See also:

XYZR

Inheritance diagram for IMP::core::XYZ:

[legend]

Public Member Functions
void	add_to_derivative (int i, Float v, DerivativeAccumulator &d)
	Add something to the derivative of the ith coordinate.
void	add_to_derivatives (const algebra::VectorD< 3 > &v, DerivativeAccumulator &d)
	Add something to the derivative of the coordinates.
Float	get_coordinate (int i) const
	Get the ith coordinate.
algebra::VectorD< 3 >	get_coordinates () const
	Convert it to a vector.
bool	get_coordinates_are_optimized () const
	Get whether the coordinates are optimized.
Float	get_derivative (int i) const
	Get the ith coordinate derivative.
algebra::VectorD< 3 >	get_derivatives () const
	Get the vector of derivatives.
algebra::VectorD< 3 >	get_vector_to (const XYZ &b) const
	Get the vector from this particle to another.
Float	get_x () const
Float	get_y () const
Float	get_z () const
void	set_coordinate (unsigned int i, Float v)
	set the ith coordinate
void	set_coordinates (const algebra::VectorD< 3 > &v)
	set all coordinates from a vector
void	set_coordinates_are_optimized (bool tf) const
	Set whether the coordinates are optimized.
void	set_x (Float t)
void	set_y (Float t)
void	set_z (Float t)
	XYZ (::IMP::Particle *p)
Static Public Member Functions
static XYZ	decorate_particle (::IMP::Particle *p)
static FloatKey	get_coordinate_key (unsigned int i)
static const FloatKeys &	get_xyz_keys ()
	Get a vector containing the keys for x,y,z.
static bool	particle_is_instance (Particle *p)
static XYZ	setup_particle (Particle *p, const algebra::VectorD< 3 > &v=algebra::VectorD< 3 >(0, 0, 0))
Related Functions
(Note that these are not member functions.)
double	get_distance (XYZ a, XYZ b)
	Compute the distance between a pair of particles.

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Member Function Documentation

algebra::VectorD<3> IMP::core::XYZ::get_coordinates

(

)

const

Convert it to a vector.

Somewhat suspect based on wanting a Point/Vector differentiation but we don't have points

Reimplemented in IMP::core::RigidBody.

bool IMP::core::XYZ::get_coordinates_are_optimized

(

)

const

Get whether the coordinates are optimized.

Returns:

true only if all of them are optimized.

algebra::VectorD<3> IMP::core::XYZ::get_derivatives

(

)

const

Get the vector of derivatives.

Somewhat suspect based on wanting a Point/Vector differentiation but we don't have points

static const FloatKeys& IMP::core::XYZ::get_xyz_keys

(

)

[static]

Get a vector containing the keys for x,y,z.

This is quite handy for initializing movers and things.

static XYZ IMP::core::XYZ::setup_particle	(	Particle *	p,
		const algebra::VectorD< 3 > &	v = algebra::VectorD<3>(0,0,0)
	)			[static]

Create a decorator with the passed coordinates.

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The documentation for this class was generated from the following files:

• XYZ.h
• core/__init__.py