HarmonicBondForce Class Reference
This class implements an interaction between pairs of particles that varies harmonically with the distance between them. More...
Public Member Functions | |
| def | getNumBonds |
| getNumBonds(self) -> int | |
| def | addBond |
| addBond(self, int particle1, int particle2, double length, double k) -> int | |
| def | getBondParameters |
| getBondParameters(self, int index) | |
| def | setBondParameters |
| setBondParameters(self, int index, int particle1, int particle2, double length, double k) | |
| def | __init__ |
| __init__(self) -> HarmonicBondForce __init__(self, HarmonicBondForce other) -> HarmonicBondForce | |
| def | __del__ |
| __del__(self) | |
Public Attributes | |
| this | |
Detailed Description
This class implements an interaction between pairs of particles that varies harmonically with the distance between them.
To use it, create a HarmonicBondForce object then call addBond() once for each bond. After a bond has been added, you can modify its force field parameters by calling setBondParameters().
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from Force.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self) -> HarmonicBondForce __init__(self, HarmonicBondForce other) -> HarmonicBondForce
Create a HarmonicBondForce.
| def addBond | ( | self, | ||
| args | ||||
| ) |
addBond(self, int particle1, int particle2, double length, double k) -> int
Add a bond term to the force field.
- Parameters:
-
particle1 the index of the first particle connected by the bond particle2 the index of the second particle connected by the bond length the equilibrium length of the bond, measured in nm k the harmonic force constant for the bond, measured in kJ/mol/nm^2
| def getBondParameters | ( | self, | ||
| args | ||||
| ) |
getBondParameters(self, int index)
Get the force field parameters for a bond term.
- Parameters:
-
index the index of the bond for which to get parameters particle1 the index of the first particle connected by the bond particle2 the index of the second particle connected by the bond length the equilibrium length of the bond, measured in nm k the harmonic force constant for the bond, measured in kJ/mol/nm^2
| def getNumBonds | ( | self | ) |
getNumBonds(self) -> int
Get the number of harmonic bond stretch terms in the potential function
| def setBondParameters | ( | self, | ||
| args | ||||
| ) |
setBondParameters(self, int index, int particle1, int particle2, double length, double k)
Set the force field parameters for a bond term.
- Parameters:
-
index the index of the bond for which to set parameters particle1 the index of the first particle connected by the bond particle2 the index of the second particle connected by the bond length the equilibrium length of the bond, measured in nm k the harmonic force constant for the bond, measured in kJ/mol/nm^2
Member Data Documentation
The documentation for this class was generated from the following file:
- openmm.py
