fix code reviews

DeepRank · Mar 31, 2020 · 5f68419 · 5f68419
1 parent 7504da7
commit 5f68419
Show file tree

Hide file tree

Showing 2 changed files with 5 additions and 0 deletions.
diff --git a/deeprank/generate/DataGenerator.py b/deeprank/generate/DataGenerator.py
@@ -46,6 +46,9 @@ def __init__(self, pdb_select=None, pdb_source=None,
             pdb_native (list(str), optional): List of folders where to find the native comformations,
                 nust set it if having targets to compute in parameter "compute_targets".
             pssm_source (list(str), optional): List of folders where to find the PSSM files
+            align (dict, optional): Dicitionary to align the compexes, 
+                                    e.g. align = {"selection":{"chainID":["A","B"]},"axis":"z"}}
+                                    if "selection" is not specified the entire complex is used for alignement
             compute_targets (list(str), optional): List of python files computing the targets,
                 "pdb_native" must be set if having targets to compute.
             compute_features (list(str), optional): List of python files computing the features

diff --git a/test/test_generate.py b/test/test_generate.py
@@ -254,3 +254,5 @@ def test_6_align_interface(self):
     inst.test_1_generate_mapfly()
     inst.test_3_add_unique_target()
     inst.test_4_add_feature()
+    inst.test_5_align()
+    inst.test_6_align_interface()