Source code for mmtfPyspark.filters.containsGroup

#!/user/bin/env python
'''containsGroup.py:

This filter returns entries that contain at least one of the specified groups
(residues).Groups are specified by their one, two, or three-letter codes,
e.g. "F", "MG", "ATP", as defined in the PDB Chemical Component Dictionary.

References
----------
- `PDB Chemical Component Dictionary <https://www.wwpdb.org/data/ccd>`_

'''

__author__ = "Mars (Shih-Cheng) Huang"
__maintainer__ = "Mars (Shih-Cheng) Huang"
__email__ = "marshuang80@gmail.com"
__version__ = "0.2.0"
__status__ = "Done"


[docs]class ContainsGroup(object):
    '''Returns entries that contain at least one of the specified groups

    Attributes
    ----------
    groupQuery : list
       list of group names
    '''

    def __init__(self, *args):
        groups = [a for a in args]
        self.groupQuery = set(groups)

    def __call__(self, t):
        groups = [t[1].group_list[idx]['groupName']
                  for idx in t[1].group_type_list]

        for group in self.groupQuery:
            if group in groups:
                return True

        return False