ForceField.rdForceField.ForceField

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

# Class ForceField

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

    A force field

Instance Methods | [hide private]
AddDistanceConstraint(...) AddDistanceConstraint( (ForceField)self, (int)idx1, (int)idx2, (float)minLen, (float)maxLen, (float)forceConstant) -> None : Adds a distance constraint to the force field. |
AddExtraPoint(...) AddExtraPoint( (ForceField)self, (float)x, (float)y, (float)z [, (bool)fixed=True]) -> int : Adds an extra point, this can be useful for adding constraints. |
CalcEnergy(...) CalcEnergy( (ForceField)arg1) -> float :... |
GetExtraPointPos(...) GetExtraPointPos( (ForceField)self, (int)idx) -> object :... |
Initialize(...) Initialize( (ForceField)arg1) -> None :... |
Minimize(...) Minimize( (ForceField)arg1 [, (int)maxIts=200 [, (float)forceTol=0.0001 [, (float)energyTol=9.9999999999999995e-07]]]) -> int : Runs some minimization iterations. |
__init__(...) Raises an exception... |
__reduce__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

Properties | [hide private]
Inherited from `object`: `__class__`

Method Details | [hide private]

### AddDistanceConstraint(...) |
    AddDistanceConstraint( (ForceField)self, (int)idx1, (int)idx2, (float)minLen, (float)maxLen, (float)forceConstant) -> None :
        Adds a distance constraint to the force field.

        C++ signature :
            void AddDistanceConstraint(ForceFields::PyForceField*,unsigned int,unsigned int,double,double,double)

### AddExtraPoint(...) |
    AddExtraPoint( (ForceField)self, (float)x, (float)y, (float)z [, (bool)fixed=True]) -> int :
        Adds an extra point, this can be useful for adding constraints.

        C++ signature :
            int AddExtraPoint(ForceFields::PyForceField {lvalue},double,double,double [,bool=True])

### CalcEnergy(...) |
    CalcEnergy( (ForceField)arg1) -> float :
        Returns the energy of the current arrangement

        C++ signature :
            double CalcEnergy(ForceFields::PyForceField {lvalue})

### GetExtraPointPos(...) |
    GetExtraPointPos( (ForceField)self, (int)idx) -> object :
        returns the location of an extra point as a tuple

        C++ signature :
            _object* GetExtraPointPos(ForceFields::PyForceField*,unsigned int)

### Initialize(...) |
    Initialize( (ForceField)arg1) -> None :
        initializes the force field (call this before minimizing)

        C++ signature :
            void Initialize(ForceFields::PyForceField {lvalue})

### Minimize(...) |
    Minimize( (ForceField)arg1 [, (int)maxIts=200 [, (float)forceTol=0.0001 [, (float)energyTol=9.9999999999999995e-07]]]) -> int :
        Runs some minimization iterations.

          Returns 0 if the minimization succeeded.

        C++ signature :
            int Minimize(ForceFields::PyForceField {lvalue} [,int=200 [,double=0.0001 [,double=9.9999999999999995e-07]]])

### __init__(...) (Constructor) |
    Raises an exception
    This class cannot be instantiated from Python
Overrides: object.__init__

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)