def get_segids(self):
"""
Obtain all the currently defined segment IDs.
Returns:
(list of str): All defined segids in current molecule
"""
return _psfgen.query_segment(psfstate=self._data, task="segids")
def get_last(self, segid):
"""
Get the name of the patch applied to the end of a given segment
Args:
segid (str): Segment ID to query
Returns:
(str): Patch name, or None
"""
return _psfgen.query_segment(psfstate=self._data,
task="last",
segid=segid)
def get_resids(self, segid):
"""
Obtain all currently defined resids in a given segment
Args:
segid (str): Segment ID to query
Returns:
(list of str): All defined resids in given segment
"""
return _psfgen.query_segment(psfstate=self._data,
task="resids",
segid=segid)
def get_resname(self, segid, resid):
"""
Obtains the residue name given a resid and segment
Args:
segid (str): Segment ID to query
resid (str or int): Residue ID to query
Returns:
(str): Residue name
"""
# Handle integer resid, just turn it into a string
if isinstance(resid, int):
resid = str(resid)
return _psfgen.query_segment(psfstate=self._data,
task="residue",
segid=segid,
resid=resid)