# AmoebaOutOfPlaneBendForce Class Reference

This class implements the Amoeba out-of-plane bend interaction. More...

Inheritance diagram for AmoebaOutOfPlaneBendForce:

List of all members.

## Public Member Functions

def | getNumOutOfPlaneBends
| getNumOutOfPlaneBends(AmoebaOutOfPlaneBendForce self) -> int
def | setAmoebaGlobalOutOfPlaneBendCubic
| setAmoebaGlobalOutOfPlaneBendCubic(AmoebaOutOfPlaneBendForce self, double cubicK)
def | getAmoebaGlobalOutOfPlaneBendCubic
| getAmoebaGlobalOutOfPlaneBendCubic(AmoebaOutOfPlaneBendForce self) -> double
def | setAmoebaGlobalOutOfPlaneBendQuartic
| setAmoebaGlobalOutOfPlaneBendQuartic(AmoebaOutOfPlaneBendForce self, double quarticK)
def | getAmoebaGlobalOutOfPlaneBendQuartic
| getAmoebaGlobalOutOfPlaneBendQuartic(AmoebaOutOfPlaneBendForce self) -> double
def | setAmoebaGlobalOutOfPlaneBendPentic
| setAmoebaGlobalOutOfPlaneBendPentic(AmoebaOutOfPlaneBendForce self, double penticK)
def | getAmoebaGlobalOutOfPlaneBendPentic
| getAmoebaGlobalOutOfPlaneBendPentic(AmoebaOutOfPlaneBendForce self) -> double
def | setAmoebaGlobalOutOfPlaneBendSextic
| setAmoebaGlobalOutOfPlaneBendSextic(AmoebaOutOfPlaneBendForce self, double sexticK)
def | getAmoebaGlobalOutOfPlaneBendSextic
| getAmoebaGlobalOutOfPlaneBendSextic(AmoebaOutOfPlaneBendForce self) -> double
def | addOutOfPlaneBend
| addOutOfPlaneBend(AmoebaOutOfPlaneBendForce self, int particle1, int particle2, int particle3, int particle4, double k) -> int
def | getOutOfPlaneBendParameters
| getOutOfPlaneBendParameters(AmoebaOutOfPlaneBendForce self, int index)
def | setOutOfPlaneBendParameters
| setOutOfPlaneBendParameters(AmoebaOutOfPlaneBendForce self, int index, int particle1, int particle2, int particle3, int particle4, double k)
def | updateParametersInContext
| updateParametersInContext(AmoebaOutOfPlaneBendForce self, Context context)
def | __init__
| __init__(OpenMM.AmoebaOutOfPlaneBendForce self) -> AmoebaOutOfPlaneBendForce __init__(OpenMM.AmoebaOutOfPlaneBendForce self, AmoebaOutOfPlaneBendForce other) -> AmoebaOutOfPlaneBendForce
def | __del__
| __del__(OpenMM.AmoebaOutOfPlaneBendForce self)

## Public Attributes

| this

## Detailed Description

This class implements the Amoeba out-of-plane bend interaction.

To use it, create an OutOfPlaneBendForce object then call addOutOfPlaneBend() once for each outOfPlaneBend. After an out-of-plane bend has been added, you can modify its force field parameters by calling setOutOfPlaneBendParameters(). This will have no effect on Contexts that already exist unless you call updateParametersInContext().

## Member Function Documentation

def __del__ | ( |  | self | ) |

__del__(OpenMM.AmoebaOutOfPlaneBendForce self)

Reimplemented from Force.

def __init__ | ( |  | self,
|  |  | args |
| ) |  |  |

__init__(OpenMM.AmoebaOutOfPlaneBendForce self) -> AmoebaOutOfPlaneBendForce __init__(OpenMM.AmoebaOutOfPlaneBendForce self, AmoebaOutOfPlaneBendForce other) -> AmoebaOutOfPlaneBendForce

Create an AmoebaOutOfPlaneBendForce.

def addOutOfPlaneBend | ( |  | self,
|  |  | args |
| ) |  |  |

addOutOfPlaneBend(AmoebaOutOfPlaneBendForce self, int particle1, int particle2, int particle3, int particle4, double k) -> int

Add an out-of-plane bend 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 out-of-plane bend

def getAmoebaGlobalOutOfPlaneBendCubic | ( |  | self | ) |

getAmoebaGlobalOutOfPlaneBendCubic(AmoebaOutOfPlaneBendForce self) -> double

Get the global cubic term

def getAmoebaGlobalOutOfPlaneBendPentic | ( |  | self | ) |

getAmoebaGlobalOutOfPlaneBendPentic(AmoebaOutOfPlaneBendForce self) -> double

Get the global pentic term

def getAmoebaGlobalOutOfPlaneBendQuartic | ( |  | self | ) |

getAmoebaGlobalOutOfPlaneBendQuartic(AmoebaOutOfPlaneBendForce self) -> double

Get the global quartic term

def getAmoebaGlobalOutOfPlaneBendSextic | ( |  | self | ) |

getAmoebaGlobalOutOfPlaneBendSextic(AmoebaOutOfPlaneBendForce self) -> double

Get the global sextic term

def getNumOutOfPlaneBends | ( |  | self | ) |

getNumOutOfPlaneBends(AmoebaOutOfPlaneBendForce self) -> int

Get the number of out-of-plane bend terms in the potential function

def getOutOfPlaneBendParameters | ( |  | self,
|  |  | args |
| ) |  |  |

getOutOfPlaneBendParameters(AmoebaOutOfPlaneBendForce self, int index)

Get the force field parameters for an out-of-plane bend 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 out-of-plane bend

def setAmoebaGlobalOutOfPlaneBendCubic | ( |  | self,
|  |  | args |
| ) |  |  |

setAmoebaGlobalOutOfPlaneBendCubic(AmoebaOutOfPlaneBendForce self, double cubicK)

Set the global cubic term

Parameters:

  | cubicK | the cubic force constant for the angle

def setAmoebaGlobalOutOfPlaneBendPentic | ( |  | self,
|  |  | args |
| ) |  |  |

setAmoebaGlobalOutOfPlaneBendPentic(AmoebaOutOfPlaneBendForce self, double penticK)

Set the global pentic term

Parameters:

  | penticK | the pentic force constant for the angle

def setAmoebaGlobalOutOfPlaneBendQuartic | ( |  | self,
|  |  | args |
| ) |  |  |

setAmoebaGlobalOutOfPlaneBendQuartic(AmoebaOutOfPlaneBendForce self, double quarticK)

Set the global cubic term

Parameters:

  | quarticK | the quartic force constant for the angle

def setAmoebaGlobalOutOfPlaneBendSextic | ( |  | self,
|  |  | args |
| ) |  |  |

setAmoebaGlobalOutOfPlaneBendSextic(AmoebaOutOfPlaneBendForce self, double sexticK)

Set the global sextic term

Parameters:

  | sexticK | the sextic force constant for the angle

def setOutOfPlaneBendParameters | ( |  | self,
|  |  | args |
| ) |  |  |

setOutOfPlaneBendParameters(AmoebaOutOfPlaneBendForce self, int index, int particle1, int particle2, int particle3, int particle4, double k)

Set the force field parameters for an out-of-plane bend 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 out-of-plane bend

def updateParametersInContext | ( |  | self,
|  |  | args |
| ) |  |  |

updateParametersInContext(AmoebaOutOfPlaneBendForce self, Context context)

Update the per-bend term parameters in a Context to match those stored in this Force object. This method provides an efficient method to update certain parameters in an existing Context without needing to reinitialize it. Simply call setOutOfPlaneBendParameters() to modify this object's parameters, then call updateParametersInState() to copy them over to the Context.

The only information this method updates is the values of per-bend term parameters. The set of particles involved in a term cannot be changed, nor can new terms be added.

## Member Data Documentation

this

The documentation for this class was generated from the following file:

- openmm.py