ForceField.rdForceField.ForceField

Package ForceField :: Module rdForceField :: Class ForceField |
[hide private]
[frames] | no frames]

# 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__