Merge branch 'develop' of https://github.com/sallai/mbuild into develop

mbuild/tests/test_compound.py

@@ -11,6 +11,10 @@
 
 class TestCompound:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     def test_load_and_create(self):
         Compound.load(get_fn('methyl.pdb'))
 

mbuild/tests/test_examples.py

@@ -2,10 +2,16 @@
 # -*- coding: utf-8 -*-
 
 """Tests for `mbuild.examples` module. """
+import pytest
 
 
 class TestExamples:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
+
     def test_alkane(self):
         import mbuild.examples.alkane.alkane as example
         example.main()

mbuild/tests/test_examples_methane.py

@@ -5,6 +5,10 @@
 
 class TestExamplesMethane:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     @pytest.fixture
     def methane(self):
         from mbuild.examples.methane.methane import Methane

mbuild/tests/test_gromacs.py

@@ -7,6 +7,10 @@
 
 class TestGromacs:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     @pytest.fixture
     def ethane(self):
         from mbuild.examples.ethane.ethane import Ethane

mbuild/tests/test_hoomdxml.py

@@ -11,6 +11,9 @@
 
 
 class TestHoomdXml:
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
 
     @pytest.fixture
     def molecule(self):

mbuild/tests/test_mbuild.py

@@ -2,9 +2,14 @@
 # -*- coding: utf-8 -*-
 
 """Tests for `mbuild` module. """
+import pytest
 
 class TestMbuild:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     def setUp(self):
         pass
 

mbuild/tests/test_mol2file.py

@@ -2,13 +2,18 @@
 # -*- coding: utf-8 -*-
 
 """Tests for `mbuild.formats.mol2` module. """
+import pytest
 from mbuild.examples.ethane.methyl import Methyl
 from mbuild.trajectory import Trajectory
 from mbuild.testing.tools import get_fn
 
 
 class TestMol2:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     def test_load_and_create(self):
         methyl = Trajectory.load(get_fn('methyl.mol2'))
         methyl.to_compound()

mbuild/tests/test_opls.py

@@ -5,13 +5,18 @@
 
 import glob
 import os
+import pytest
 
 from mbuild.testing.tools import load_top_opls
 from mbuild.tools.parameterize.atomtyper import find_atomtypes
 
 
 class TestTools:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     def test_all_molecules(self, only_run=None):
         # Path doesn't work for py.test and is probably bad practice anyways.
         top_files = glob.glob('../../opls_validation/*.top')

mbuild/tests/test_tools.py

@@ -2,6 +2,7 @@
 # -*- coding: utf-8 -*-
 
 """Tests for `mbuild.tools` module. """
+import pytest
 import numpy as np
 
 from mbuild.trajectory import Trajectory
@@ -10,6 +11,10 @@
 
 class TestTools:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     def test_center_of_mass(self):
         e_ceramide_ns = Trajectory.load(get_fn('e-ceramide-ns.pdb'))
 

mbuild/tests/test_xyz.py

@@ -7,6 +7,10 @@
 
 class TestXyz:
 
+    @pytest.fixture(autouse=True)
+    def initdir(self, tmpdir):
+        tmpdir.chdir()
+
     @pytest.fixture
     def ethane(self):
         from mbuild.examples.ethane.ethane import Ethane