Package schrodinger :: Package application :: Package desmond :: Package packages :: Module analysis :: Class Positer

Class Positer

object --+
         |
        Positer

A class to create a positer object for use with the GeomCalc class.

Instance Methods

__init__(self, analyzers, num_pos)
x.__init__(...) initializes x; see help(type(x)) for signature

__call__(self, pbc, fr)

setGidOffset(self, gid_offset)

int

numPos(self)
Returns: The number of new positions to be added into the position array of the given frame.

list of int objects

gids(self)
Returns: The GIDs of the new positions to be added.

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

Properties

Inherited from object: __class__

Method Details

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

analyzers (list. Each element can be an analyzer, for example, a Com, or Coc, or Centroid object.) - A list of analyzers. Each analyzer will return a new position.

Overrides: object.__init__

Parameters:

Parameters:

gid_offset (int) - The GID of the first position added by this positer will be natoms + gid_offset, where natoms is the number of interaction sites in the original model system.

Returns: int: The number of new positions to be added into the position array of the given frame.

Returns: list of int objects: The GIDs of the new positions to be added.