Package ForceField :: Module rdForceField :: Class ForceField

Class ForceField

 object --+    
          |    
??.instance --+
              |
             ForceField

A force field

Instance Methods

[hide private]

AddDistanceConstraint(...)
Adds a distance constraint to the force field.

AddExtraPoint(...)
Adds an extra point, this can be useful for adding constraints.

CalcEnergy(...)
Returns the energy of the current arrangement...

GetExtraPointPos(...)
returns the location of an extra point as a tuple...

Initialize(...)
initializes the force field (call this before minimizing)...

Minimize(...)
Runs some minimization iterations.

__init__(...)
Raises an exception...

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __getattribute__, __hash__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

AddDistanceConstraint(...)

Adds a distance constraint to the force field.
C++ signature:
    AddDistanceConstraint(ForceFields::PyForceField* self, unsigned int idx1, unsigned int idx2, double minLen, double maxLen, double forceConstant) -> void*

AddExtraPoint(...)

Adds an extra point, this can be useful for adding constraints.
C++ signature:
    AddExtraPoint(ForceFields::PyForceField {lvalue} self, double x, double y, double z, bool fixed=True) -> int

CalcEnergy(...)

Returns the energy of the current arrangement
C++ signature:
    CalcEnergy(ForceFields::PyForceField {lvalue}) -> double

GetExtraPointPos(...)

returns the location of an extra point as a tuple
C++ signature:
    GetExtraPointPos(ForceFields::PyForceField* self, unsigned int idx) -> _object*

Initialize(...)

initializes the force field (call this before minimizing)
C++ signature:
    Initialize(ForceFields::PyForceField {lvalue}) -> void*

Minimize(...)

Runs some minimization iterations.

  Returns 0 if the minimization succeeded.
C++ signature:
    Minimize(ForceFields::PyForceField {lvalue}, int maxIts=200, double forceTol=0.0001, double energyTol=9.9999999999999995e-07) -> int

init(...)
(Constructor)

Raises an exception
This class cannot be instantiated from Python

Overrides: object.__init__

Class ForceField

AddDistanceConstraint(...)

AddExtraPoint(...)

CalcEnergy(...)

GetExtraPointPos(...)

Initialize(...)

Minimize(...)

__init__(...) (Constructor)

init(...)
(Constructor)