def test_clone_empty(self):
store = Storage(filename=self.filename, template=self.template_snapshot, mode='w')
assert(os.path.isfile(self.filename))
copy = self.template_snapshot.copy()
store.save(copy)
store.save(self.traj)
store.clone_empty(filename=self.filename_clone)
# clone the storage and reduce the number of atoms to only solute
store2 = Storage(filename=self.filename_clone, mode='a')
# do some tests, if this is still the same data
compare_snapshot(
store2.snapshots.load(0),
store.snapshots.load(0)
)
# check if the reversed copy also works
compare_snapshot(
store2.snapshots.load(1),
store.snapshots.load(1)
)
assert_equal(len(store2.snapshots), 2)
assert_equal(len(store2.trajectories), 0)
store.close()
store2.close()
pass
def test_clone_empty(self):
store = Storage(filename=self.filename, template=self.template_snapshot, mode='w')
assert(os.path.isfile(self.filename))
copy = self.template_snapshot.copy()
store.save(copy)
store.save(self.traj)
store.clone_empty(filename=self.filename_clone)
# clone the storage and reduce the number of atoms to only solute
store2 = Storage(filename=self.filename_clone, mode='a')
# do some tests, if this is still the same data
compare_snapshot(
store2.snapshots.load(0),
store.snapshots.load(0)
)
# check if the reversed copy also works
compare_snapshot(
store2.snapshots.load(1),
store.snapshots.load(1)
)
assert_equal(len(store2.snapshots), 2)
assert_equal(len(store2.trajectories), 0)
store.close()
store2.close()
pass
