Import openmmtools and remove import openmoltools
@@ -17,7 +17,7 @@ import os
import textwrap
import subprocess
-import openmoltools as omt
+import openmmtools as mmtools
from yank import utils
@@ -122,7 +122,7 @@ def test_script_yaml():
type: FlatBottom
""".format(lysozyme_path, pxylene_path)
- with omt.utils.temporary_directory() as tmp_dir:
+ with mmtools.utils.temporary_directory() as tmp_dir:
yaml_file_path = os.path.join(tmp_dir, 'yank.yaml')
with open(yaml_file_path, 'w') as f:
f.write(textwrap.dedent(yaml_content))
@@ -133,8 +133,8 @@ def test_script_yaml():
def test_script_yaml_status():
"""Check that 'yank script --yaml --status' works."""
- host_path = openmmtools.testsystems.get_data_filename('cb7-b2/cb7_am1-bcc.mol2')
- guest_path = openmmtools.testsystems.get_data_filename('cb7-b2/b2_am1-bcc.mol2')
+ host_path = mmtools.testsystems.get_data_filename('cb7-b2/cb7_am1-bcc.mol2')
+ guest_path = mmtools.testsystems.get_data_filename('cb7-b2/b2_am1-bcc.mol2')
yaml_content = """\
---
options:
@@ -201,7 +201,7 @@ def test_script_yaml_status():
type: Harmonic
""".format(host_path, guest_path)
- with omt.utils.temporary_directory() as tmp_dir:
+ with mmtools.utils.temporary_directory() as tmp_dir:
yaml_file_path = os.path.join(tmp_dir, 'yank.yaml')
with open(yaml_file_path, 'w') as f:
f.write(textwrap.dedent(yaml_content))
