removed unnecessary imports, added test for idr annotation

vermouth/processors/annotate_idrs.py

@@ -17,10 +17,7 @@
 Provides processors that can add and remove IDR specific bonds
 """
 
-import functools
-
 from .processor import Processor
-from ..graph_utils import make_residue_graph
 from ..rcsu.go_utils import _in_resid_region
 from ..log_helpers import StyleAdapter, get_logger
 LOGGER = StyleAdapter(get_logger(__name__))

vermouth/tests/test_annotate_idrs.py

@@ -0,0 +1,61 @@
+# Copyright 2022 University of Groningen
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#    http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+"""
+Test for the tune idp bonds processor.
+"""
+import pytest
+from vermouth.processors.annotate_idrs import AnnotateIDRs
+from .datafiles import PDB_ALA5_CG
+from vermouth.pdb.pdb import read_pdb
+import networkx as nx
+
+def protein():
+    """
+    Read a PDB file describing a protein at CG resolution.
+    Embed the content of the PDB in a :class:`vermouth.system.System`.
+    """
+    molecules = read_pdb(PDB_ALA5_CG)
+    assert len(molecules) == 1
+    molecule = molecules[0]
+    molecule.remove_edges_from(list(molecule.edges))
+    _resids = nx.get_node_attributes(molecule, "resid")
+    nx.set_node_attributes(molecule, _resids, "_old_resid")
+    return molecule
+
+@pytest.mark.parametrize('idr_regions, expected', [
+    (
+    [(1,3)],
+    [True, True, True, True, True, True, False, False, False, False]
+    ),
+    (
+    [(1,2),(4,5)],
+    [True, True, True, True, False, False, True, True, True, True]
+    ),
+    (
+    [],
+    [False, False, False, False, False, False, False, False, False, False]
+    )
+])
+def test_make_disorder_string(idr_regions, expected):
+    molecule = protein()
+    AnnotateIDRs(idr_regions=idr_regions).run_molecule(molecule)
+    result = []
+    for key, node in molecule.nodes.items():
+        if molecule.nodes[key].get("cgidr"):
+            result.append(True)
+        else:
+            result.append(False)
+    assert result == expected
+