schrodinger.application.desmond.gaussian_filter module

Create and filter 3D histogram with gaussian function.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.desmond.gaussian_filter.GaussianFilter(s=0.5, sp=3)

Bases: object

__init__(s=0.5, sp=3)

Initialize self. See help(type(self)) for accurate signature.

apply(atom_array, weights=None, max=None, min=None)

write(cns_fname, remark='')

__class__

alias of builtins.type

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.desmond.gaussian_filter', '__init__': <function GaussianFilter.__init__>, '_prepare_filter': <function GaussianFilter._prepare_filter>, '_apply_filter': <function GaussianFilter._apply_filter>, 'apply': <function GaussianFilter.apply>, 'write': <function GaussianFilter.write>, '__dict__': <attribute '__dict__' of 'GaussianFilter' objects>, '__weakref__': <attribute '__weakref__' of 'GaussianFilter' objects>, '__doc__': None})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.application.desmond.gaussian_filter'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)