def test_search():
query1 = rcsb.ResolutionQuery(0.0, 0.8)
query2 = rcsb.MolecularWeightQuery(0, 1000)
ids_query1 = sorted(rcsb.search(query1))
ids_query2 = sorted(rcsb.search(query2))
ids_comp = sorted(rcsb.search(rcsb.CompositeQuery("or", [query1, query2])))
ids_comp2 = []
for id in ids_query1 + ids_query2:
if id not in ids_comp2:
ids_comp2.append(id)
assert ids_comp == sorted(ids_comp2)
# true.
# Download file in the fast and small binary MMTF format
file_path = rcsb.fetch("1l2y", "mmtf", biotite.temp_dir(), overwrite=True)
########################################################################
# In many cases you are not interested in a specific structure, but you
# want a set of structures that fits your desired criteria.
# For this purpose the *RCSB* SEARCH service can be interfaced.
#
# At first you have to create :class:`Query` object for the property you
# want to filter.
# The :func:`search()` method takes the :class:`Query` and returns a
# list of PDB IDs, which itself can be used as input for :func:`fetch()`.
query = rcsb.ResolutionQuery(0.0, 0.6)
pdb_ids = rcsb.search(query)
print(pdb_ids)
files = rcsb.fetch(pdb_ids, "mmtf", biotite.temp_dir())
########################################################################
# Not all query types of the SEARCH service are supported yet. But it is
# quite easy to implement your needed query type by inheriting
# :class:`SimpleQuery`.
#
# Multiple :class:`SimpleQuery` objects can be 'and'/'or' combined using
# a :class:`CompositeQuery`.
query1 = rcsb.ResolutionQuery(0.0, 1.0)
query2 = rcsb.MolecularWeightQuery(10000, 100000)
composite = rcsb.CompositeQuery("and", [query1, query2])
# true.
# Download file in the fast and small binary MMTF format
file_path = rcsb.fetch("1l2y", "mmtf", biotite.temp_dir(), overwrite=True)
########################################################################
# In many cases you are not interested in a specific structure, but you
# want a set of structures that fits your desired criteria.
# For this purpose the *RCSB SEARCH* service can be interfaced.
#
# At first you have to create :class:`Query` object for the property you
# want to filter.
# The :func:`search()` method takes the :class:`Query` and returns a
# list of PDB IDs, which itself can be used as input for :func:`fetch()`.
query = rcsb.ResolutionQuery(min=0.0, max=0.6)
pdb_ids = rcsb.search(query)
print(pdb_ids)
files = rcsb.fetch(pdb_ids, "mmtf", biotite.temp_dir())
########################################################################
# Not all query types of the SEARCH service are supported yet. But it is
# quite easy to implement your needed query type by inheriting
# :class:`SimpleQuery`.
#
# Multiple :class:`SimpleQuery` objects can be 'and'/'or' combined using
# a :class:`CompositeQuery`.
query1 = rcsb.ResolutionQuery(0.0, 1.0)
query2 = rcsb.MolecularWeightQuery(10000, 100000)
composite = rcsb.CompositeQuery("and", [query1, query2])