Skip to content

Commit

Permalink
Clarified documentation on virtual sites (openmm#4292)
Browse files Browse the repository at this point in the history
  • Loading branch information
peastman authored Nov 1, 2023
1 parent ac1748a commit 726544f
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions openmmapi/include/openmm/VirtualSite.h
Original file line number Diff line number Diff line change
Expand Up @@ -70,8 +70,8 @@ class OPENMM_EXPORT VirtualSite {

/**
* This is a VirtualSite that computes the particle location as a weighted average
* of two other particle's locations. Assuming the weights add up to 1, this means
* the virtual site is on the line passing through the two particles.
* of two other particle's locations. This means the virtual site is on the
* line passing through the two particles.
*/
class OPENMM_EXPORT TwoParticleAverageSite : public VirtualSite {
public:
Expand All @@ -81,8 +81,8 @@ class OPENMM_EXPORT TwoParticleAverageSite : public VirtualSite {
*
* @param particle1 the index of the first particle
* @param particle2 the index of the second particle
* @param weight1 the weight factor (between 0 and 1) for the first particle
* @param weight2 the weight factor (between 0 and 1) for the second particle
* @param weight1 the weight factor (typically between 0 and 1) for the first particle
* @param weight2 the weight factor (typically between 0 and 1) for the second particle
*/
TwoParticleAverageSite(int particle1, int particle2, double weight1, double weight2);
/**
Expand All @@ -98,8 +98,8 @@ class OPENMM_EXPORT TwoParticleAverageSite : public VirtualSite {

/**
* This is a VirtualSite that computes the particle location as a weighted average
* of three other particle's locations. Assuming the weights add up to 1, this means
* the virtual site is in the plane of the three particles.
* of three other particle's locations. This means the virtual site is in the
* plane of the three particles.
*/
class OPENMM_EXPORT ThreeParticleAverageSite : public VirtualSite {
public:
Expand All @@ -110,9 +110,9 @@ class OPENMM_EXPORT ThreeParticleAverageSite : public VirtualSite {
* @param particle1 the index of the first particle
* @param particle2 the index of the second particle
* @param particle3 the index of the third particle
* @param weight1 the weight factor (between 0 and 1) for the first particle
* @param weight2 the weight factor (between 0 and 1) for the second particle
* @param weight3 the weight factor (between 0 and 1) for the third particle
* @param weight1 the weight factor (typically between 0 and 1) for the first particle
* @param weight2 the weight factor (typically between 0 and 1) for the second particle
* @param weight3 the weight factor (typically between 0 and 1) for the third particle
*/
ThreeParticleAverageSite(int particle1, int particle2, int particle3, double weight1, double weight2, double weight3);
/**
Expand Down

0 comments on commit 726544f

Please sign in to comment.