OutOfPlaneSite¶

class
simtk.openmm.openmm.
OutOfPlaneSite
(*args)¶ This is a VirtualSite that computes the particle location based on three other particles’ locations. If r<sub>1</sub> is the location of particle 1, r<sub>12</sub> is the vector from particle 1 to particle 2, and r<sub>13</sub> is the vector from particle 1 to particle 3, then the virtual site location is given by
r<sub>1</sub> + w<sub>12</sub>r<sub>12</sub> + w<sub>13</sub>r<sub>13</sub> + w<sub>cross</sub>(r<sub>12</sub> x r<sub>13</sub>)
The three weight factors are userspecified. This allows the virtual site location to be out of the plane of the three particles.

__init__
(self, particle1, particle2, particle3, weight12, weight13, weightCross) → OutOfPlaneSite¶ __init__(self, other) > OutOfPlaneSite
Create a new OutOfPlaneSite virtual site.
Parameters:  particle1 (int) – the index of the first particle
 particle2 (int) – the index of the second particle
 particle3 (int) – the index of the third particle
 weight12 (double) – the weight factor for the vector from particle1 to particle2
 weight13 (double) – the weight factor for the vector from particle1 to particle3
 weightCross (double) – the weight factor for the cross product
Methods
__init__
(self, particle1, particle2, …)__init__(self, other) > OutOfPlaneSite getNumParticles
(self)Get the number of particles this virtual site depends on. getParticle
(self, particle)Get the index of a particle this virtual site depends on. getWeight12
(self)Get the weight factor for the vector from particle1 to particle2. getWeight13
(self)Get the weight factor for the vector from particle1 to particle3. getWeightCross
(self)Get the weight factor for the cross product. 
getWeight12
(self) → double¶ Get the weight factor for the vector from particle1 to particle2.

getWeight13
(self) → double¶ Get the weight factor for the vector from particle1 to particle3.

getWeightCross
(self) → double¶ Get the weight factor for the cross product.

getNumParticles
(self) → int¶ Get the number of particles this virtual site depends on.

getParticle
(self, particle) → int¶ Get the index of a particle this virtual site depends on.
Parameters: particle (int) – the particle to get (between 0 and getNumParticles()) Returns: the index of the particle in the System Return type: int
