def test_get_common_features_2():
yaml_file = load_yaml_file(os.path.join(base_dir,"mdl_dir","project.yaml"))
aligned_dict={}
for protein in yaml_file["protein_list"]:
t = load_random_traj(yaml_file, protein)
aligned_dict[protein] = t.top.to_fasta(chain=0)
f= DihedralFeaturizer(types=['phi','psi','chi1'])
common_feature_dic,_ = _get_common_features(yaml_file,f, aligned_dict, False)
assert(len(set([len(common_feature_dic[i]) for i in yaml_file["protein_list"]]))==1)
return
def test_get_common_features():
yaml_file = load_yaml_file(os.path.join(base_dir,"mdl_dir","project.yaml"))
aligned_dict={}
for protein in yaml_file["protein_list"]:
t = load_random_traj(yaml_file, protein)
aligned_dict[protein] = t.top.to_fasta(chain=0)
f= DihedralFeaturizer()
common_feature_dic,_ = _get_common_features(yaml_file,f, aligned_dict, False)
for protein in yaml_file["protein_list"]:
t = load_random_traj(yaml_file, protein)
assert(len(common_feature_dic[protein])==f.transform(t)[0].shape[1])
return
