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) > 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. 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. 
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
