def test_storing_and_manipulating(self):
filename = make_temp_dir('hdf5manipulation.hdf5')
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
trajname = traj.v_name
thedata = np.zeros((1000, 1000))
res = traj.f_add_result(SharedResult, 'shared')
myarray = SharedArray('array', res, trajectory=traj, add_to_parent=True)
mytable = SharedTable('t1', res, trajectory=traj, add_to_parent=True)
mytable2 = SharedTable('t2', res, trajectory=traj, add_to_parent=True)
mytable3 = SharedTable('t3', res, trajectory=traj, add_to_parent=True)
traj.f_store(only_init=True)
myarray.create_shared_data(data=thedata)
mytable.create_shared_data(first_row={'hi': compat.tobytes('hi'), 'huhu': np.ones(3)})
mytable2.create_shared_data(description={'ha': pt.StringCol(2, pos=0), 'haha': pt.FloatCol(pos=1)})
mytable3.create_shared_data(description={'ha': pt.StringCol(2, pos=0), 'haha': pt.FloatCol(pos=1)})
traj.f_store()
newrow = {'ha': 'hu', 'haha': 4.0}
with self.assertRaises(TypeError):
traj.shared.t2.row
with StorageContextManager(traj) as cm:
row = traj.shared.t2.row
for irun in range(11):
for key, val in newrow.items():
row[key] = val
row.append()
traj.shared.t3.flush()
data = myarray.read()
myarray.get_data_node()
self.assertTrue(np.all(data == thedata))
with StorageContextManager(traj):
myarray[2, 2] = 10
data = myarray.read()
self.assertTrue(data[2, 2] == 10)
self.assertTrue(data[2, 2] == 10)
self.assertFalse(traj.v_storage_service.is_open)
traj = load_trajectory(name=trajname, filename=filename)
traj.f_load(load_data=2)
traj.shared.t2.traj = traj
traj.shared.t1.traj = traj
traj.shared.array.traj = traj
self.assertTrue(traj.shared.t2.nrows == 11, '%s != 11' % str(traj.shared.t2.nrows))
self.assertTrue(traj.shared.t2[0]['ha'] == compat.tobytes('hu'), traj.shared.t2[0]['ha'])
self.assertTrue(traj.shared.t2[1]['ha'] == compat.tobytes('hu'), traj.shared.t2[1]['ha'])
self.assertTrue('huhu' in traj.shared.t1.colnames)
self.assertTrue(traj.shared.array[2, 2] == 10)
def setUp(self):
self.filename = make_temp_dir('shared_table_test.hdf5')
self.traj = Trajectory(name=make_trajectory_name(self),
filename=self.filename)
self.traj.v_standard_result = SharedResult
self.traj.f_store(only_init=True)
self.traj.f_add_result('shared_data')
self.shared_array = SharedArray(name='array',
parent=self.traj.shared_data,
trajectory=self.traj,
add_to_parent=True)
def test_errors(self):
filename = make_temp_dir('hdf5errors.hdf5')
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
npearray = np.ones((2, 10, 3), dtype=np.float)
thevlarray = np.array(
[compat.tobytes('j'), 22.2,
compat.tobytes('gutter')])
with self.assertRaises(TypeError):
traj.f_add_result(
SharedResult, 'arrays.vlarray',
SharedVLArray()).create_shared_data(obj=thevlarray)
traj.f_store()
traj.arrays.vlarray.create_shared_data(obj=thevlarray)
traj.f_add_result(SharedResult, 'arrays.array',
SharedArray()).create_shared_data(data=npearray)
traj.arrays.f_add_result(SharedResult,
'super.carray',
SharedCArray(),
comment='carray').create_shared_data(
shape=(10, 10), atom=pt.atom.FloatAtom())
traj.arrays.f_add_result(SharedResult, 'earray',
SharedEArray()).create_shared_data(
'earray', obj=npearray)
traj.f_store()
with self.assertRaises(TypeError):
traj.arrays.array.iterrows()
with StorageContextManager(traj):
with self.assertRaises(RuntimeError):
with StorageContextManager(traj):
pass
self.assertTrue(traj.v_storage_service.is_open)
with self.assertRaises(RuntimeError):
StorageContextManager(traj).open_store()
self.assertFalse(traj.v_storage_service.is_open)
def test_conversions(self):
filename = make_temp_dir("hdf5manipulation.hdf5")
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
trajname = traj.v_name
traj.v_standard_result = SharedResult
traj.f_store(only_init=True)
traj.f_add_result("shared_data")
thedata = np.zeros((1000, 1000))
myarray = SharedArray("array", traj.shared_data, trajectory=traj)
traj.shared_data["array"] = myarray
mytable = SharedTable("t1", traj.shared_data, trajectory=traj)
traj.shared_data["t1"] = mytable
# mytable2 = SharedTableResult('h.t2', trajectory=traj)
# mytable3 = SharedTableResult('jjj.t3', trajectory=traj)
dadict = {"hi": [1, 2, 3, 4, 5], "shu": ["bi", "du", "da", "ha", "hui"]}
dadict2 = {"answer": [42]}
res = traj.f_add_result("shared.dfs")
res["df"] = SharedPandasFrame()
res["df"].create_shared_data(data=pd.DataFrame(dadict), trajectory=traj)
frame = SharedPandasFrame("df1", traj.f_get("shared.dfs"), trajectory=traj)
frame.create_shared_data(data=pd.DataFrame(dadict2))
res["df1"] = frame
traj.f_add_result("mylist", [1, 2, 3])
traj.f_add_result("my.mytuple", k=(1, 2, 3), wa=42)
traj.f_add_result("my.myarray", np.zeros((50, 50)))
traj.f_add_result("my.myframe", data=pd.DataFrame(dadict2))
traj.f_add_result("my.mytable", ObjectTable(data=dadict2))
myarray.create_shared_data(data=thedata)
mytable.create_shared_data(first_row={"hi": compat.tobytes("hi"), "huhu": np.ones(3)})
traj.f_store()
data = myarray.read()
arr = myarray.get_data_node()
self.assertTrue(np.all(data == thedata))
with StorageContextManager(traj) as cm:
myarray[2, 2] = 10
data = myarray.read()
self.assertTrue(data[2, 2] == 10)
self.assertTrue(data[2, 2] == 10)
self.assertFalse(traj.v_storage_service.is_open)
traj = load_trajectory(name=trajname, filename=filename, load_all=2, dynamic_imports=SharedResult)
make_ordinary_result(traj.shared_data, "array", trajectory=traj)
array = traj.shared_data.array
self.assertTrue(isinstance(array, np.ndarray))
thedata[2, 2] = 10
self.assertTrue(np.all(array == thedata))
make_ordinary_result(traj.shared_data, "t1", trajectory=traj)
t1 = traj.shared_data.t1
self.assertTrue(isinstance(t1, ObjectTable)) #
self.assertTrue(np.all(t1["huhu"][0] == np.ones(3)))
dfs = traj.shared.dfs
make_ordinary_result(traj.shared.dfs, "df", trajectory=traj)
theframe = dfs.f_get("df")
self.assertTrue(isinstance(dfs, Result))
self.assertTrue(isinstance(theframe, pd.DataFrame))
self.assertTrue(theframe["hi"][0] == 1)
listres = traj.f_get("mylist")
listres = make_shared_result(listres, 0, trajectory=traj)
with StorageContextManager(traj) as cm:
self.assertTrue(listres[0][2] == 3)
listres[0][0] = 4
self.assertTrue(listres[0][0] == 4)
listres = make_ordinary_result(listres, 0, trajectory=traj)
traj = load_trajectory(name=trajname, filename=filename, load_all=2, dynamic_imports=SharedResult)
mylist = traj.mylist
self.assertTrue(isinstance(listres, Result))
self.assertTrue(mylist[0] == 4)
self.assertTrue(isinstance(mylist, list))
mytuple = traj.mytuple
with self.assertRaises(AttributeError):
mytuple = make_shared_result(mytuple, "mylist", traj, new_class=SharedArray)
mytuple = make_shared_result(mytuple, "k", traj, new_class=SharedArray)
self.assertTrue(mytuple.k[1] == 2)
mytuple = make_ordinary_result(mytuple, "k", trajectory=traj)
self.assertTrue(isinstance(mytuple.k, tuple))
self.assertTrue(mytuple.k[2] == 3)
myframe = traj.myframe
myframe = make_shared_result(myframe, "data", traj)
theframe = myframe.data.read()
self.assertTrue(theframe["answer"][0] == 42)
myframe = make_ordinary_result(myframe, "data", trajectory=traj)
traj.f_load_item(myframe)
self.assertTrue(myframe.data["answer"][0] == 42)
mytable = traj.f_get("mytable")
mytable = make_shared_result(mytable, 0, traj)
self.assertTrue(isinstance(mytable[0], SharedTable))
rows = mytable.mytable.read()
self.assertTrue(rows[0][0] == 42)
mytable = make_ordinary_result(mytable, 0, trajectory=traj)
self.assertTrue(isinstance(mytable, Result))
self.assertTrue(mytable[0]["answer"][0] == 42)
def test_conversions(self):
filename = make_temp_dir('hdf5manipulation.hdf5')
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
trajname = traj.v_name
traj.v_standard_result = SharedResult
traj.f_store(only_init=True)
traj.f_add_result('shared_data')
thedata = np.zeros((1000, 1000))
myarray = SharedArray('array', traj.shared_data, trajectory=traj)
traj.shared_data['array'] = myarray
mytable = SharedTable('t1', traj.shared_data, trajectory=traj)
traj.shared_data['t1'] = mytable
dadict = {
'hi': [1, 2, 3, 4, 5],
'shu': ['bi', 'du', 'da', 'ha', 'hui']
}
dadict2 = {'answer': [42]}
res = traj.f_add_result('shared.dfs')
res['df'] = SharedPandasFrame()
res['df'].create_shared_data(data=pd.DataFrame(dadict),
trajectory=traj)
frame = SharedPandasFrame('df1',
traj.f_get('shared.dfs'),
trajectory=traj,
add_to_parent=True)
frame.create_shared_data(data=pd.DataFrame(dadict2), )
res['df1'] = frame
traj.f_add_result('mylist', [1, 2, 3])
traj.f_add_result('my.mytuple', k=(1, 2, 3), wa=42)
traj.f_add_result('my.myarray', np.zeros((50, 50)))
traj.f_add_result('my.myframe', data=pd.DataFrame(dadict2))
traj.f_add_result('my.mytable', ObjectTable(data=dadict2))
myarray.create_shared_data(data=thedata)
mytable.create_shared_data(first_row={
'hi': compat.tobytes('hi'),
'huhu': np.ones(3)
})
traj.f_store()
data = myarray.read()
myarray.get_data_node()
self.assertTrue(np.all(data == thedata))
with StorageContextManager(traj):
myarray[2, 2] = 10
data = myarray.read()
self.assertTrue(data[2, 2] == 10)
self.assertTrue(data[2, 2] == 10)
self.assertFalse(traj.v_storage_service.is_open)
traj = load_trajectory(name=trajname,
filename=filename,
load_all=2,
dynamic_imports=SharedResult)
make_ordinary_result(traj.shared_data, 'array', trajectory=traj)
array = traj.shared_data.array
self.assertTrue(isinstance(array, np.ndarray))
thedata[2, 2] = 10
self.assertTrue(np.all(array == thedata))
make_ordinary_result(
traj.shared_data,
't1',
trajectory=traj,
)
t1 = traj.shared_data.t1
self.assertTrue(isinstance(t1, ObjectTable))
self.assertTrue(np.all(t1['huhu'][0] == np.ones(3)))
dfs = traj.shared.dfs
make_ordinary_result(traj.shared.dfs, 'df', trajectory=traj)
theframe = dfs.f_get('df')
self.assertTrue(isinstance(dfs, Result))
self.assertTrue(isinstance(theframe, pd.DataFrame))
self.assertTrue(theframe['hi'][0] == 1)
listres = traj.f_get('mylist')
listres = make_shared_result(listres, 0, trajectory=traj)
with StorageContextManager(traj):
self.assertTrue(listres[0][2] == 3)
listres[0][0] = 4
self.assertTrue(listres[0][0] == 4)
listres = make_ordinary_result(listres, 0, trajectory=traj)
traj = load_trajectory(name=trajname,
filename=filename,
load_all=2,
dynamic_imports=SharedResult)
mylist = traj.mylist
self.assertTrue(isinstance(listres, Result))
self.assertTrue(mylist[0] == 4)
self.assertTrue(isinstance(mylist, list))
mytuple = traj.mytuple
with self.assertRaises(AttributeError):
mytuple = make_shared_result(mytuple,
'mylist',
traj,
new_class=SharedArray)
mytuple = make_shared_result(mytuple, 'k', traj, new_class=SharedArray)
self.assertTrue(mytuple.k[1] == 2)
mytuple = make_ordinary_result(mytuple, 'k', trajectory=traj)
self.assertTrue(isinstance(mytuple.k, tuple))
self.assertTrue(mytuple.k[2] == 3)
myframe = traj.myframe
myframe = make_shared_result(myframe, 'data', traj)
theframe = myframe.data.read()
self.assertTrue(theframe['answer'][0] == 42)
myframe = make_ordinary_result(myframe, 'data', trajectory=traj)
traj.f_load_item(myframe)
self.assertTrue(myframe.data['answer'][0] == 42)
mytable = traj.f_get('mytable')
mytable = make_shared_result(mytable, 0, traj)
self.assertTrue(isinstance(mytable[0], SharedTable))
rows = mytable.mytable.read()
self.assertTrue(rows[0][0] == 42)
mytable = make_ordinary_result(mytable, 0, trajectory=traj)
self.assertTrue(isinstance(mytable, Result))
self.assertTrue(mytable[0]['answer'][0] == 42)
def test_all_arrays(self):
filename = make_temp_dir('hdf5arrays.hdf5')
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
trajname = traj.v_name
npearray = np.ones((2, 10, 3), dtype=np.float)
thevlarray = np.array(
[compat.tobytes('j'), 22.2,
compat.tobytes('gutter')])
traj.f_store(only_init=True)
res = traj.f_add_result(SharedResult, 'arrays')
res['carray'] = SharedCArray()
res['carray'].create_shared_data(shape=(10, 10),
atom=pt.atom.FloatAtom())
res['earray'] = SharedEArray()
res['earray'].create_shared_data(obj=npearray)
res['vlarray'] = SharedVLArray()
res['vlarray'].create_shared_data(obj=thevlarray)
res['array'] = SharedArray()
res['array'].create_shared_data(data=npearray)
traj.f_store()
traj = load_trajectory(name=trajname,
filename=filename,
load_all=2,
dynamic_imports=SharedResult)
toappned = [44, compat.tobytes('k')]
with StorageContextManager(traj):
a1 = traj.arrays.array
a1[0, 0, 0] = 4.0
a2 = traj.arrays.carray
a2[0, 1] = 4
a4 = traj.arrays.vlarray
a4.append(toappned)
a3 = traj.arrays.earray
a3.append(np.zeros((1, 10, 3)))
traj = load_trajectory(name=trajname,
filename=filename,
load_all=2,
dynamic_imports=SharedResult)
with StorageContextManager(traj):
a1 = traj.arrays.array
self.assertTrue(a1[0, 0, 0] == 4.0)
a2 = traj.arrays.carray
self.assertTrue(a2[0, 1] == 4)
a3 = traj.arrays.earray
self.assertTrue(a3.read().shape == (3, 10, 3))
a4 = traj.arrays.vlarray
for idx, x in enumerate(a4):
if idx == 0:
self.assertTrue(np.all(x == np.array(thevlarray)))
elif idx == 1:
self.assertTrue(np.all(x == np.array(toappned)))
else:
raise RuntimeError()
def test_storing_and_manipulating(self):
filename = make_temp_dir('hdf5manipulation.hdf5')
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
trajname = traj.v_name
thedata = np.zeros((1000, 1000))
res = traj.f_add_result(SharedResult, 'shared')
myarray = SharedArray('array',
res,
trajectory=traj,
add_to_parent=True)
mytable = SharedTable('t1', res, trajectory=traj, add_to_parent=True)
mytable2 = SharedTable('t2', res, trajectory=traj, add_to_parent=True)
mytable3 = SharedTable('t3', res, trajectory=traj, add_to_parent=True)
traj.f_store(only_init=True)
myarray.create_shared_data(data=thedata)
mytable.create_shared_data(first_row={
'hi': compat.tobytes('hi'),
'huhu': np.ones(3)
})
mytable2.create_shared_data(description={
'ha': pt.StringCol(2, pos=0),
'haha': pt.FloatCol(pos=1)
})
mytable3.create_shared_data(description={
'ha': pt.StringCol(2, pos=0),
'haha': pt.FloatCol(pos=1)
})
traj.f_store()
newrow = {'ha': 'hu', 'haha': 4.0}
with self.assertRaises(TypeError):
traj.shared.t2.row
with StorageContextManager(traj) as cm:
row = traj.shared.t2.row
for irun in range(11):
for key, val in newrow.items():
row[key] = val
row.append()
traj.shared.t3.flush()
data = myarray.read()
myarray.get_data_node()
self.assertTrue(np.all(data == thedata))
with StorageContextManager(traj):
myarray[2, 2] = 10
data = myarray.read()
self.assertTrue(data[2, 2] == 10)
self.assertTrue(data[2, 2] == 10)
self.assertFalse(traj.v_storage_service.is_open)
traj = load_trajectory(name=trajname, filename=filename)
traj.f_load(load_data=2)
traj.shared.t2.traj = traj
traj.shared.t1.traj = traj
traj.shared.array.traj = traj
self.assertTrue(traj.shared.t2.nrows == 11,
'%s != 11' % str(traj.shared.t2.nrows))
self.assertTrue(traj.shared.t2[0]['ha'] == compat.tobytes('hu'),
traj.shared.t2[0]['ha'])
self.assertTrue(traj.shared.t2[1]['ha'] == compat.tobytes('hu'),
traj.shared.t2[1]['ha'])
self.assertTrue('huhu' in traj.shared.t1.colnames)
self.assertTrue(traj.shared.array[2, 2] == 10)
def test_conversions(self):
filename = make_temp_dir('hdf5manipulation.hdf5')
traj = Trajectory(name=make_trajectory_name(self), filename=filename)
trajname = traj.v_name
traj.v_standard_result = SharedResult
traj.f_store(only_init=True)
traj.f_add_result('shared_data')
thedata = np.zeros((1000, 1000))
myarray = SharedArray('array', traj.shared_data, trajectory=traj)
traj.shared_data['array'] = myarray
mytable = SharedTable('t1', traj.shared_data, trajectory=traj)
traj.shared_data['t1'] = mytable
dadict = {'hi': [1, 2, 3, 4, 5], 'shu': ['bi', 'du', 'da', 'ha', 'hui']}
dadict2 = {'answer': [42]}
res = traj.f_add_result('shared.dfs')
res['df'] = SharedPandasFrame()
res['df'].create_shared_data(data=pd.DataFrame(dadict), trajectory=traj)
frame = SharedPandasFrame('df1', traj.f_get('shared.dfs'), trajectory=traj,
add_to_parent=True)
frame.create_shared_data(data=pd.DataFrame(dadict2),)
res['df1'] = frame
traj.f_add_result('mylist', [1, 2, 3])
traj.f_add_result('my.mytuple', k=(1, 2, 3), wa=42)
traj.f_add_result('my.myarray', np.zeros((50, 50)))
traj.f_add_result('my.myframe', data=pd.DataFrame(dadict2))
traj.f_add_result('my.mytable', ObjectTable(data=dadict2))
myarray.create_shared_data(data=thedata)
mytable.create_shared_data(first_row={'hi': compat.tobytes('hi'), 'huhu': np.ones(3)})
traj.f_store()
data = myarray.read()
myarray.get_data_node()
self.assertTrue(np.all(data == thedata))
with StorageContextManager(traj):
myarray[2, 2] = 10
data = myarray.read()
self.assertTrue(data[2, 2] == 10)
self.assertTrue(data[2, 2] == 10)
self.assertFalse(traj.v_storage_service.is_open)
traj = load_trajectory(name=trajname, filename=filename, load_all=2,
dynamic_imports=SharedResult)
make_ordinary_result(traj.shared_data, 'array', trajectory=traj)
array = traj.shared_data.array
self.assertTrue(isinstance(array, np.ndarray))
thedata[2, 2] = 10
self.assertTrue(np.all(array == thedata))
make_ordinary_result(traj.shared_data, 't1', trajectory=traj,)
t1 = traj.shared_data.t1
self.assertTrue(isinstance(t1, ObjectTable))
self.assertTrue(np.all(t1['huhu'][0] == np.ones(3)))
dfs = traj.shared.dfs
make_ordinary_result(traj.shared.dfs, 'df', trajectory=traj)
theframe = dfs.f_get('df')
self.assertTrue(isinstance(dfs, Result))
self.assertTrue(isinstance(theframe, pd.DataFrame))
self.assertTrue(theframe['hi'][0] == 1)
listres = traj.f_get('mylist')
listres = make_shared_result(listres, 0, trajectory=traj)
with StorageContextManager(traj):
self.assertTrue(listres[0][2] == 3)
listres[0][0] = 4
self.assertTrue(listres[0][0] == 4)
listres = make_ordinary_result(listres, 0, trajectory=traj)
traj = load_trajectory(name=trajname, filename=filename, load_all=2,
dynamic_imports=SharedResult)
mylist = traj.mylist
self.assertTrue(isinstance(listres, Result))
self.assertTrue(mylist[0] == 4)
self.assertTrue(isinstance(mylist, list))
mytuple = traj.mytuple
with self.assertRaises(AttributeError):
mytuple = make_shared_result(mytuple, 'mylist', traj, new_class=SharedArray)
mytuple = make_shared_result(mytuple, 'k', traj, new_class=SharedArray)
self.assertTrue(mytuple.k[1] == 2)
mytuple = make_ordinary_result(mytuple, 'k', trajectory=traj)
self.assertTrue(isinstance(mytuple.k, tuple))
self.assertTrue(mytuple.k[2] == 3)
myframe = traj.myframe
myframe = make_shared_result(myframe, 'data', traj)
theframe = myframe.data.read()
self.assertTrue(theframe['answer'][0] == 42)
myframe = make_ordinary_result(myframe, 'data', trajectory=traj)
traj.f_load_item(myframe)
self.assertTrue(myframe.data['answer'][0] == 42)
mytable = traj.f_get('mytable')
mytable = make_shared_result(mytable, 0, traj)
self.assertTrue(isinstance(mytable[0], SharedTable))
rows = mytable.mytable.read()
self.assertTrue(rows[0][0] == 42)
mytable = make_ordinary_result(mytable, 0, trajectory=traj)
self.assertTrue(isinstance(mytable, Result))
self.assertTrue(mytable[0]['answer'][0] == 42)