AmoebaStretchBendForce Class Reference
This class implements the Amoeba stretch bend interaction To use it, create a StretchBendForce object then call addStretchBend() once for each stretchBend. More...
Public Member Functions | |
| def | getNumStretchBends |
| getNumStretchBends(self) -> int | |
| def | addStretchBend |
| addStretchBend(self, int particle1, int particle2, int particle3, double lengthAB, double lengthCB, double angle, double k) -> int | |
| def | getStretchBendParameters |
| getStretchBendParameters(self, int index) | |
| def | setStretchBendParameters |
| setStretchBendParameters(self, int index, int particle1, int particle2, int particle3, double lengthAB, double lengthCB, double angle, double k) | |
| def | __init__ |
| __init__(self) -> AmoebaStretchBendForce __init__(self, AmoebaStretchBendForce other) -> AmoebaStretchBendForce | |
| def | __del__ |
| __del__(self) | |
Public Attributes | |
| this | |
Detailed Description
This class implements the Amoeba stretch bend interaction To use it, create a StretchBendForce object then call addStretchBend() once for each stretchBend.
After a stretchBend has been added, you can modify its force field parameters by calling setStretchBendParameters().
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from Force.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self) -> AmoebaStretchBendForce __init__(self, AmoebaStretchBendForce other) -> AmoebaStretchBendForce
Create a Amoeba StretchBendForce.
| def addStretchBend | ( | self, | ||
| args | ||||
| ) |
addStretchBend(self, int particle1, int particle2, int particle3, double lengthAB, double lengthCB, double angle, double k) -> int
Add a stretchBend term to the force field.
- Parameters:
-
particle1 the index of the first particle connected by the stretchBend particle2 the index of the second particle connected by the stretchBend particle3 the index of the third particle connected by the stretchBend lengthAB the equilibrium length of the stretchBend in bond ab [particle1, particle2], measured in nm lengthCB the equilibrium length of the stretchBend in bond cb [particle3, particle2], measured in nm angle the equilibrium angle in radians k the force constant for the stretchBend
| def getNumStretchBends | ( | self | ) |
getNumStretchBends(self) -> int
Get the number of stretchBend terms in the potential function
| def getStretchBendParameters | ( | self, | ||
| args | ||||
| ) |
getStretchBendParameters(self, int index)
Get the force field parameters for a stretchBend term.
- Parameters:
-
index the index of the stretchBend for which to get parameters particle1 the index of the first particle connected by the stretchBend particle2 the index of the second particle connected by the stretchBend particle3 the index of the third particle connected by the stretchBend lengthAB the equilibrium length of the stretchBend in bond ab [particle1, particle2], measured in nm lengthCB the equilibrium length of the stretchBend in bond cb [particle3, particle2], measured in nm angle the equilibrium angle in radians k the force constant for the stretchBend
| def setStretchBendParameters | ( | self, | ||
| args | ||||
| ) |
setStretchBendParameters(self, int index, int particle1, int particle2, int particle3, double lengthAB, double lengthCB, double angle, double k)
Set the force field parameters for a stretchBend term.
- Parameters:
-
index the index of the stretchBend for which to set parameters particle1 the index of the first particle connected by the stretchBend particle2 the index of the second particle connected by the stretchBend particle3 the index of the third particle connected by the stretchBend lengthAB the equilibrium length of the stretchBend in bond ab [particle1, particle2], measured in nm lengthCB the equilibrium length of the stretchBend in bond cb [particle3, particle2], measured in nm angle the equilibrium angle in radians k the force constant for the stretchBend
Member Data Documentation
The documentation for this class was generated from the following file:
- openmm.py
