Package schrodinger :: Package structutils :: Module filter :: Class Filter

Class Filter

object --+
         |
        Filter

Known Subclasses:

Base class for filtering structures. The specific filters to use are determined by the SingleFilter objects passed to .append(), or by the file read with readFile().

Instance Methods

[hide private]

__init__(self, filters=None, filename=None, **kwds)
Create a filter object, optionally with a source for the filter conditions.

readFileName(self, filename, **kwds)
Add filter conditions given a filename.

readFile(self, fh)
Add filter conditions given a file-like object.

append(self, filter)
Add a filter the PropFilter object.

bool

checkStructure(self, st_or_mol, max_violations=0)
Return True if st_or_mol passes the filters; False otherwise.

filter(self, structures, **kwds)
A generator that returns only the structures from 'structures' that pass the filter conditions.

cls._mol_class

_adaptStructure(self, st_or_mol)
Convert st_or_mol to the class specified by cls._mol_class by calling the cls._mol_adapter function.

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

Class Variables

[hide private]

_mol_adapter = None
hash(x)

_mol_class = None
hash(x)

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, filters=None, filename=None, **kwds)
(Constructor)

Create a filter object, optionally with a source for the filter conditions.

Parameters:

kwds - additional keywords to pass to readFile or readFileName
filters (iterable of str)
filename (str)

Overrides: object.__init__

readFileName(self, filename, **kwds)

Add filter conditions given a filename.

Parameters:

kwds - additional keywords to pass to readFile
filename (str)

readFile(self, fh)

Add filter conditions given a file-like object. Not implemented in the base class.

Parameters:

fh (iterable of str)

append(self, filter)

Add a filter the PropFilter object.

Parameters:

expr (SingleFilter)

checkStructure(self, st_or_mol, max_violations=0)

Return True if st_or_mol passes the filters; False otherwise.

Parameters:

st_or_mol (Structure or Mol)

Returns: bool

filter(self, structures, **kwds)

A generator that returns only the structures from 'structures' that pass the filter conditions.

Parameters:

structures (iterable of Structure or Mol)

_adaptStructure(self, st_or_mol)

Convert st_or_mol to the class specified by cls._mol_class by calling the cls._mol_adapter function. Does nothing if the object is already and instance of _mol_class or there is no _mol_adapter.

This function is called by checkStructure before doing the actual checking of the filters.

Parameters:

st_or_mol (Mol or Structure)

Returns: cls._mol_class

Class Filter

__init__(self, filters=None, filename=None, **kwds) (Constructor)

readFileName(self, filename, **kwds)

readFile(self, fh)

append(self, filter)

checkStructure(self, st_or_mol, max_violations=0)

filter(self, structures, **kwds)

_adaptStructure(self, st_or_mol)

init(self, filters=None, filename=None, **kwds)
(Constructor)