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amcadmus merged 6 commits into from
Jul 8, 2021
Merged

use cached Session to speed up py tests #833

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92a9aa4
use cached Session to speed up py tests
njzjz Jul 7, 2021
63860ba
cached_session is not avaible in TF 1.8; use test_session instead alt…
njzjz Jul 7, 2021
1191b09
bugfix
njzjz Jul 7, 2021
4738075
bugfix
njzjz Jul 7, 2021
1696267
bugfix
njzjz Jul 7, 2021
fd8aef7
bugfix
njzjz Jul 7, 2021
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4 changes: 2 additions & 2 deletions source/tests/test_data_modifier.py
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Original file line number Diff line number Diff line change
Expand Up @@ -28,7 +28,7 @@
INPUT = os.path.join(modifier_datapath, 'dipole.json')


class TestDataModifier (unittest.TestCase) :
class TestDataModifier (tf.test.TestCase) :

def setUp(self):
# with tf.variable_scope('load', reuse = False) :
Expand Down Expand Up @@ -74,7 +74,7 @@ def _setUp(self):
model.build (data)

# freeze the graph
with tf.Session() as sess:
with self.test_session() as sess:
init_op = tf.global_variables_initializer()
sess.run(init_op)
graph = tf.get_default_graph()
Expand Down
4 changes: 2 additions & 2 deletions source/tests/test_data_modifier_shuffle.py
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Expand Up @@ -29,7 +29,7 @@
modifier_datapath = 'data_modifier'


class TestDataModifier (unittest.TestCase) :
class TestDataModifier (tf.test.TestCase) :

def setUp(self):
# with tf.variable_scope('load', reuse = False) :
Expand Down Expand Up @@ -78,7 +78,7 @@ def _setUp(self):
model.build (data)

# freeze the graph
with tf.Session() as sess:
with self.test_session() as sess:
init_op = tf.global_variables_initializer()
sess.run(init_op)
graph = tf.get_default_graph()
Expand Down
21 changes: 11 additions & 10 deletions source/tests/test_descrpt_nonsmth.py
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Original file line number Diff line number Diff line change
Expand Up @@ -24,8 +24,9 @@ class Inter():
def setUp (self,
data,
comp = 0,
pbc = True) :
self.sess = tf.Session()
pbc = True,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -155,18 +156,18 @@ def comp_v_dw (self,



class TestNonSmooth(Inter, unittest.TestCase):
class TestNonSmooth(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# self.places = 5
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_se')
Expand All @@ -181,13 +182,13 @@ def test_virial_dw (self) :
virial_dw_test(self, self, suffix = '_se')


class TestLFPbc(unittest.TestCase):
class TestLFPbc(tf.test.TestCase):
def test_pbc(self):
data = Data()
inter0 = Inter()
inter1 = Inter()
inter0.setUp(data, pbc = True)
inter1.setUp(data, pbc = False)
inter0.setUp(data, pbc = True, sess=self.test_session().__enter__())
inter1.setUp(data, pbc = False, sess=self.test_session().__enter__())
inter0.net_w_i = np.copy(np.ones(inter0.ndescrpt))
inter1.net_w_i = np.copy(np.ones(inter1.ndescrpt))

Expand Down Expand Up @@ -227,8 +228,8 @@ def test_pbc_small_box(self):
data1 = Data(box_scale = 2)
inter0 = Inter()
inter1 = Inter()
inter0.setUp(data0, pbc = True)
inter1.setUp(data1, pbc = False)
inter0.setUp(data0, pbc = True, sess=self.test_session().__enter__())
inter1.setUp(data1, pbc = False, sess=self.test_session().__enter__())
inter0.net_w_i = np.copy(np.ones(inter0.ndescrpt))
inter1.net_w_i = np.copy(np.ones(inter1.ndescrpt))

Expand Down
6 changes: 3 additions & 3 deletions source/tests/test_descrpt_se_a_type.py
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Expand Up @@ -16,7 +16,7 @@
GLOBAL_TF_FLOAT_PRECISION = tf.float64
GLOBAL_NP_FLOAT_PRECISION = np.float64

class TestModel(unittest.TestCase):
class TestModel(tf.test.TestCase):
def setUp(self) :
gen_data()

Expand Down Expand Up @@ -110,7 +110,7 @@ def test_descriptor_two_sides(self):
t_mesh: test_data['default_mesh'],
is_training: False}

sess = tf.Session()
sess = self.test_session().__enter__()
sess.run(tf.global_variables_initializer())
[model_dout] = sess.run([dout],
feed_dict = feed_dict_test)
Expand Down Expand Up @@ -219,7 +219,7 @@ def test_descriptor_one_side(self):
t_mesh: test_data['default_mesh'],
is_training: False}

sess = tf.Session()
sess = self.test_session().__enter__()
sess.run(tf.global_variables_initializer())
[model_dout] = sess.run([dout],
feed_dict = feed_dict_test)
Expand Down
11 changes: 6 additions & 5 deletions source/tests/test_descrpt_se_ar.py
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Original file line number Diff line number Diff line change
Expand Up @@ -22,8 +22,9 @@

class Inter():
def setUp (self,
data) :
self.sess = tf.Session()
data,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -94,17 +95,17 @@ def comp_ef (self,
return energy, force, virial


class TestDescrptAR(Inter, unittest.TestCase):
class TestDescrptAR(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_se_ar')
Expand Down
21 changes: 11 additions & 10 deletions source/tests/test_descrpt_se_r.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,9 @@
class Inter():
def setUp (self,
data,
pbc = True) :
self.sess = tf.Session()
pbc = True,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -136,17 +137,17 @@ def comp_v_dw (self,



class TestSmooth(Inter, unittest.TestCase):
class TestSmooth(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_se_r')
Expand All @@ -161,13 +162,13 @@ def test_virial_dw (self) :
virial_dw_test(self, self, suffix = '_se_r')


class TestSeRPbc(unittest.TestCase):
class TestSeRPbc(tf.test.TestCase):
def test_pbc(self):
data = Data()
inter0 = Inter()
inter1 = Inter()
inter0.setUp(data, pbc = True)
inter1.setUp(data, pbc = False)
inter0.setUp(data, pbc = True, sess=self.test_session().__enter__())
inter1.setUp(data, pbc = False, sess=self.test_session().__enter__())
inter0.net_w_i = np.copy(np.ones(inter0.ndescrpt))
inter1.net_w_i = np.copy(np.ones(inter1.ndescrpt))

Expand Down Expand Up @@ -208,8 +209,8 @@ def test_pbc_small_box(self):
data1 = Data(box_scale = 2)
inter0 = Inter()
inter1 = Inter()
inter0.setUp(data0, pbc = True)
inter1.setUp(data1, pbc = False)
inter0.setUp(data0, pbc = True, sess=self.test_session().__enter__())
inter1.setUp(data1, pbc = False, sess=self.test_session().__enter__())
inter0.net_w_i = np.copy(np.ones(inter0.ndescrpt))
inter1.net_w_i = np.copy(np.ones(inter1.ndescrpt))

Expand Down
11 changes: 6 additions & 5 deletions source/tests/test_descrpt_sea_ef.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,9 @@
class Inter():
def setUp (self,
data,
pbc = True) :
self.sess = tf.Session()
pbc = True,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -148,17 +149,17 @@ def comp_v_dw (self,



class TestSmooth(Inter, unittest.TestCase):
class TestSmooth(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_sea_ef')
Expand Down
11 changes: 6 additions & 5 deletions source/tests/test_descrpt_sea_ef_para.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,9 @@
class Inter():
def setUp (self,
data,
pbc = True) :
self.sess = tf.Session()
pbc = True,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -148,17 +149,17 @@ def comp_v_dw (self,



class TestSmooth(Inter, unittest.TestCase):
class TestSmooth(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_sea_ef_para')
Expand Down
4 changes: 2 additions & 2 deletions source/tests/test_descrpt_sea_ef_rot.py
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Original file line number Diff line number Diff line change
Expand Up @@ -12,9 +12,9 @@
from deepmd.descriptor import DescrptSeA
from deepmd.descriptor import DescrptSeAEfLower

class TestEfRot(unittest.TestCase):
class TestEfRot(tf.test.TestCase):
def setUp(self):
self.sess = tf.Session()
self.sess = self.test_session().__enter__()
self.natoms = [5, 5, 2, 3]
self.ntypes = 2
self.sel_a = [12,24]
Expand Down
11 changes: 6 additions & 5 deletions source/tests/test_descrpt_sea_ef_vert.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,9 @@
class Inter():
def setUp (self,
data,
pbc = True) :
self.sess = tf.Session()
pbc = True,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -148,17 +149,17 @@ def comp_v_dw (self,



class TestSmooth(Inter, unittest.TestCase):
class TestSmooth(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_sea_ef_vert')
Expand Down
21 changes: 11 additions & 10 deletions source/tests/test_descrpt_smooth.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,9 @@
class Inter():
def setUp (self,
data,
pbc = True) :
self.sess = tf.Session()
pbc = True,
sess = None) :
self.sess = sess
self.data = data
self.natoms = self.data.get_natoms()
self.ntypes = self.data.get_ntypes()
Expand Down Expand Up @@ -147,17 +148,17 @@ def comp_v_dw (self,



class TestSmooth(Inter, unittest.TestCase):
class TestSmooth(Inter, tf.test.TestCase):
# def __init__ (self, *args, **kwargs):
# data = Data()
# Inter.__init__(self, data)
# unittest.TestCase.__init__(self, *args, **kwargs)
# tf.test.TestCase.__init__(self, *args, **kwargs)
# self.controller = object()

def setUp(self):
self.places = 5
data = Data()
Inter.setUp(self, data)
Inter.setUp(self, data, sess=self.test_session().__enter__())

def test_force (self) :
force_test(self, self, suffix = '_smth')
Expand All @@ -172,13 +173,13 @@ def test_virial_dw (self) :
virial_dw_test(self, self, suffix = '_smth')


class TestSeAPbc(unittest.TestCase):
class TestSeAPbc(tf.test.TestCase):
def test_pbc(self):
data = Data()
inter0 = Inter()
inter1 = Inter()
inter0.setUp(data, pbc = True)
inter1.setUp(data, pbc = False)
inter0.setUp(data, pbc = True, sess=self.test_session().__enter__())
inter1.setUp(data, pbc = False, sess=self.test_session().__enter__())
inter0.net_w_i = np.copy(np.ones(inter0.ndescrpt))
inter1.net_w_i = np.copy(np.ones(inter1.ndescrpt))

Expand Down Expand Up @@ -218,8 +219,8 @@ def test_pbc_small_box(self):
data1 = Data(box_scale = 2)
inter0 = Inter()
inter1 = Inter()
inter0.setUp(data0, pbc = True)
inter1.setUp(data1, pbc = False)
inter0.setUp(data0, pbc = True, sess=self.test_session().__enter__())
inter1.setUp(data1, pbc = False, sess=self.test_session().__enter__())
inter0.net_w_i = np.copy(np.ones(inter0.ndescrpt))
inter1.net_w_i = np.copy(np.ones(inter1.ndescrpt))

Expand Down
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