AmoebaOutOfPlaneBendForce Class Reference
This class implements the Amoeba Out-of-plane bend interaction To use it, create a OutOfPlaneBendForce object then call addOutOfPlaneBend() once for each outOfPlaneBend. More...
Public Member Functions | |
| def | getNumOutOfPlaneBends |
| getNumOutOfPlaneBends(self) -> int | |
| def | setAmoebaGlobalOutOfPlaneBendCubic |
| setAmoebaGlobalOutOfPlaneBendCubic(self, double cubicK) | |
| def | getAmoebaGlobalOutOfPlaneBendCubic |
| getAmoebaGlobalOutOfPlaneBendCubic(self) -> double | |
| def | setAmoebaGlobalOutOfPlaneBendQuartic |
| setAmoebaGlobalOutOfPlaneBendQuartic(self, double quarticK) | |
| def | getAmoebaGlobalOutOfPlaneBendQuartic |
| getAmoebaGlobalOutOfPlaneBendQuartic(self) -> double | |
| def | setAmoebaGlobalOutOfPlaneBendPentic |
| setAmoebaGlobalOutOfPlaneBendPentic(self, double penticK) | |
| def | getAmoebaGlobalOutOfPlaneBendPentic |
| getAmoebaGlobalOutOfPlaneBendPentic(self) -> double | |
| def | setAmoebaGlobalOutOfPlaneBendSextic |
| setAmoebaGlobalOutOfPlaneBendSextic(self, double sexticK) | |
| def | getAmoebaGlobalOutOfPlaneBendSextic |
| getAmoebaGlobalOutOfPlaneBendSextic(self) -> double | |
| def | addOutOfPlaneBend |
| addOutOfPlaneBend(self, int particle1, int particle2, int particle3, int particle4, double k) -> int | |
| def | getOutOfPlaneBendParameters |
| getOutOfPlaneBendParameters(self, int index) | |
| def | setOutOfPlaneBendParameters |
| setOutOfPlaneBendParameters(self, int index, int particle1, int particle2, int particle3, int particle4, double k) | |
| def | __init__ |
| __init__(self) -> AmoebaOutOfPlaneBendForce __init__(self, AmoebaOutOfPlaneBendForce other) -> AmoebaOutOfPlaneBendForce | |
| def | __del__ |
| __del__(self) | |
Public Attributes | |
| this | |
Detailed Description
This class implements the Amoeba Out-of-plane bend interaction To use it, create a OutOfPlaneBendForce object then call addOutOfPlaneBend() once for each outOfPlaneBend.
After a outOfPlaneBend has been added, you can modify its force field parameters by calling setOutOfPlaneBendParameters().
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from Force.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self) -> AmoebaOutOfPlaneBendForce __init__(self, AmoebaOutOfPlaneBendForce other) -> AmoebaOutOfPlaneBendForce
Create a Amoeba OutOfPlaneBendForce.
| def addOutOfPlaneBend | ( | self, | ||
| args | ||||
| ) |
addOutOfPlaneBend(self, int particle1, int particle2, int particle3, int particle4, double k) -> int
Add a outOfPlaneBend term to the force field.
- Parameters:
-
particle1 the index of the first particle connected by the outOfPlaneBend particle2 the index of the second particle connected by the outOfPlaneBend particle3 the index of the third particle connected by the outOfPlaneBend particle4 the index of the fourth particle connected by the outOfPlaneBend k the force constant for the outOfPlaneBend
| def getAmoebaGlobalOutOfPlaneBendCubic | ( | self | ) |
getAmoebaGlobalOutOfPlaneBendCubic(self) -> double
Get the global cubic term
| def getAmoebaGlobalOutOfPlaneBendPentic | ( | self | ) |
getAmoebaGlobalOutOfPlaneBendPentic(self) -> double
Get the global pentic term
| def getAmoebaGlobalOutOfPlaneBendQuartic | ( | self | ) |
getAmoebaGlobalOutOfPlaneBendQuartic(self) -> double
Get the global quartic term
| def getAmoebaGlobalOutOfPlaneBendSextic | ( | self | ) |
getAmoebaGlobalOutOfPlaneBendSextic(self) -> double
Get the global sextic term
| def getNumOutOfPlaneBends | ( | self | ) |
getNumOutOfPlaneBends(self) -> int
Get the number of outOfPlaneBend terms in the potential function
| def getOutOfPlaneBendParameters | ( | self, | ||
| args | ||||
| ) |
getOutOfPlaneBendParameters(self, int index)
Get the force field parameters for a outOfPlaneBend term.
- Parameters:
-
index the index of the outOfPlaneBend for which to get parameters particle1 the index of the first particle connected by the outOfPlaneBend particle2 the index of the second particle connected by the outOfPlaneBend particle3 the index of the third particle connected by the outOfPlaneBend particle4 the index of the fourth particle connected by the outOfPlaneBend k the force constant for the outOfPlaneBend
| def setAmoebaGlobalOutOfPlaneBendCubic | ( | self, | ||
| args | ||||
| ) |
setAmoebaGlobalOutOfPlaneBendCubic(self, double cubicK)
Set the global cubic term
- Parameters:
-
cubicK the cubic harmonic force constant for the angle
| def setAmoebaGlobalOutOfPlaneBendPentic | ( | self, | ||
| args | ||||
| ) |
setAmoebaGlobalOutOfPlaneBendPentic(self, double penticK)
Set the global pentic term
- Parameters:
-
penticK the pentic harmonic force constant for the angle
| def setAmoebaGlobalOutOfPlaneBendQuartic | ( | self, | ||
| args | ||||
| ) |
setAmoebaGlobalOutOfPlaneBendQuartic(self, double quarticK)
Set the global cubic term
- Parameters:
-
quarticK the quartic harmonic force constant for the angle
| def setAmoebaGlobalOutOfPlaneBendSextic | ( | self, | ||
| args | ||||
| ) |
setAmoebaGlobalOutOfPlaneBendSextic(self, double sexticK)
Set the global sextic term
- Parameters:
-
sexticK the sextic harmonic force constant for the angle
| def setOutOfPlaneBendParameters | ( | self, | ||
| args | ||||
| ) |
setOutOfPlaneBendParameters(self, int index, int particle1, int particle2, int particle3, int particle4, double k)
Set the force field parameters for a outOfPlaneBend term.
- Parameters:
-
index the index of the outOfPlaneBend for which to set parameters particle1 the index of the first particle connected by the outOfPlaneBend particle2 the index of the second particle connected by the outOfPlaneBend particle3 the index of the third particle connected by the outOfPlaneBend particle4 the index of the fourth particle connected by the outOfPlaneBend k the force constant for the outOfPlaneBend
Member Data Documentation
The documentation for this class was generated from the following file:
- openmm.py
