Package schrodinger :: Package trajectory :: Package prody :: Module mode :: Class Vector

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Class Vector

object --+    
         |    
VectorBase --+
             |
            Vector

A class to provide operations on a modified mode array. This class holds only mode array (i.e. eigenvector) data, and has no associations with an NMA instance. Scalar multiplication of :class:`Mode` instance or addition of two :class:`Mode` instances results in a :class:`Vector` instance.

Instance Methods

__init__(self, array, title='Unknown', is3d=True)
Instantiate with a name, an array, and a 3d flag.

__len__(self)

__repr__(self)
repr(x)

__str__(self)
str(x)

is3d(self)
Return **True** if vector instance describes a 3-dimensional property, such as a deformation for a set of atoms.

getTitle(self)
Get the descriptive title for the vector instance.

setTitle(self, title)
Set the descriptive title for the vector instance.

getArray(self)
Return a copy of array.

_getArray(self)
Return array.

getNormed(self)
Return mode after normalizing it.

numDOF(self)
Return number of degrees of freedom.

numAtoms(self)
Return number of atoms.

Inherited from VectorBase: __abs__, __add__, __div__, __iadd__, __idiv__, __imul__, __isub__, __mul__, __neg__, __pow__, __radd__, __rmul__, __rsub__, __sub__, getArrayNx3, numModes

Inherited from VectorBase (private): _getArrayNx3

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __subclasshook__

Properties

_array

_is3d

_title

Inherited from object: __class__

Method Details

init(self, array, title=`'Unknown'`, is3d=True)
(Constructor)

Instantiate with a name, an array, and a 3d flag.

Overrides: object.__init__

repr(self)
(Representation operator)

repr(x)

Overrides: object.__repr__: (inherited documentation)

str(self)
(Informal representation operator)

str(x)

Overrides: object.__str__: (inherited documentation)

is3d(self)

Return **True** if vector instance describes a 3-dimensional property, such as a deformation for a set of atoms.

Overrides: VectorBase.is3d

getArray(self)

Return a copy of array.

Overrides: VectorBase.getArray

_getArray(self)

Return array.

Overrides: VectorBase._getArray

numAtoms(self)

Return number of atoms. For a 3-dimensional vector, returns length of the vector divided by 3.

Overrides: VectorBase.numAtoms