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diff --git a/testsuite/MDAnalysisTests/analysis/test_encore.py b/testsuite/MDAnalysisTests/analysis/test_encore.py
index 9204352f48..3e9cda17f5 100644
--- a/testsuite/MDAnalysisTests/analysis/test_encore.py
+++ b/testsuite/MDAnalysisTests/analysis/test_encore.py
@@ -157,7 +157,7 @@ def test_parallel_calculation(self):
arguments = [tuple([i]) for i in np.arange(0, 100)]
parallel_calculation = encore.utils.ParallelCalculation(
- function=function, n_jobs=4, args=arguments
+ function=function, n_jobs=2, args=arguments
)
results = parallel_calculation.run()
@@ -173,14 +173,14 @@ def test_rmsd_matrix_with_superimposition(self, ens1):
encore.confdistmatrix.conformational_distance_matrix(
ens1,
encore.confdistmatrix.set_rmsd_matrix_elements,
- select="name CA",
+ select="name CA and resnum 1:3",
pairwise_align=True,
weights="mass",
n_jobs=1,
)
)
- reference = rms.RMSD(ens1, select="name CA")
+ reference = rms.RMSD(ens1, select="name CA and resnum 1:3")
reference.run()
err_msg = (
"Calculated RMSD values differ from "
@@ -200,7 +200,7 @@ def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1):
encore.confdistmatrix.conformational_distance_matrix(
ens1,
encore.confdistmatrix.set_rmsd_matrix_elements,
- select="name CA",
+ select="name CA and resnum 1:3",
pairwise_align=True,
weights="mass",
n_jobs=1,
@@ -211,11 +211,11 @@ def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1):
encore.confdistmatrix.conformational_distance_matrix(
ens1,
encore.confdistmatrix.set_rmsd_matrix_elements,
- select="name CA",
+ select="name CA and resnum 1:3",
pairwise_align=True,
weights=(
- ens1.select_atoms("name CA").masses,
- ens1.select_atoms("name CA").masses,
+ ens1.select_atoms("name CA and resnum 1:3").masses,
+ ens1.select_atoms("name CA and resnum 1:3").masses,
),
n_jobs=1,
)
@@ -230,7 +230,7 @@ def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1):
)
def test_rmsd_matrix_without_superimposition(self, ens1):
- selection_string = "name CA"
+ selection_string = "name CA and resnum 1:3"
selection = ens1.select_atoms(selection_string)
reference_rmsd = []
coordinates = ens1.trajectory.timeseries(selection, order="fac")
diff --git a/testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py b/testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py
index b4648d16bc..572bd1fffd 100644
--- a/testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py
+++ b/testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py
@@ -89,8 +89,8 @@
),
(NCDF,),
(np.arange(150).reshape(5, 10, 3).astype(np.float64),),
- (GRO, [GRO, GRO, GRO, GRO, GRO]),
- (PDB, [PDB, PDB, PDB, PDB, PDB]),
+ (GRO, [GRO, GRO]),
+ (PDB, [PDB, PDB]),
(GRO, [XTC, XTC]),
(TRC_PDB_VAC, TRC_TRAJ1_VAC),
(TRC_PDB_VAC, [TRC_TRAJ1_VAC, TRC_TRAJ2_VAC]),
@@ -130,10 +130,10 @@ def cog(u, ag, frame_id):
def test_multiprocess_COG(u):
ag = u.atoms[2:5]
- ref = np.array([cog(u, ag, i) for i in range(3)])
+ ref = np.array([cog(u, ag, i) for i in range(2)])
p = multiprocessing.Pool(2)
- res = np.array([p.apply(cog, args=(u, ag, i)) for i in range(3)])
+ res = np.array([p.apply(cog, args=(u, ag, i)) for i in range(2)])
p.close()
assert_equal(ref, res)
@@ -145,10 +145,10 @@ def getnames(u, ix):
def test_universe_unpickle_in_new_process():
u = mda.Universe(GRO, XTC)
- ref = [getnames(u, i) for i in range(3)]
+ ref = [getnames(u, i) for i in range(2)]
p = multiprocessing.Pool(2)
- res = [p.apply(getnames, args=(u, i)) for i in range(3)]
+ res = [p.apply(getnames, args=(u, i)) for i in range(2)]
p.close()
assert_equal(ref, res)
@@ -206,9 +206,9 @@ def test_creating_multiple_universe_without_offset(temp_xtc, ncopies=3):
("memory", np.arange(60).reshape(2, 10, 3).astype(np.float64), dict()),
("TRC", TRC_TRAJ1_VAC, dict()),
("CHAIN", [TRC_TRAJ1_VAC, TRC_TRAJ2_VAC], dict()),
- ("CHAIN", [GRO, GRO, GRO], dict()),
- ("CHAIN", [PDB, PDB, PDB], dict()),
- ("CHAIN", [XTC, XTC, XTC], dict()),
+ ("CHAIN", [GRO, GRO], dict()),
+ ("CHAIN", [PDB, PDB], dict()),
+ ("CHAIN", [XTC, XTC], dict()),
]
)
def ref_reader(request):
|
