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Split cpu and gpu parts of tests, correct skipIfs, autopep8.

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pkreissl committed Sep 20, 2018
1 parent 3059d2d commit 36a993457d1f932c728b1f9e786e3a485b210773
Showing with 89 additions and 53 deletions.
  1. +89 −53 testsuite/observable_cylindricalLB.py
@@ -1,19 +1,19 @@
# Copyright (C) 2010-2018 The ESPResSo project
#
#
# This file is part of ESPResSo.
#
#
# ESPResSo is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
#
# ESPResSo is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
# along with this program. If not, see <http://www.gnu.org/licenses/>.
import sys
import numpy as np
import unittest as ut
@@ -25,9 +25,14 @@
@ut.skipIf(
not espressomd.has_features('LB_GPU') or espressomd.has_features('SHANCHEN'),
"LB_GPU not compiled in or SHANCHEN activated, can not check functionality.")
not (
espressomd.has_features(
'LB') or espressomd.has_features(
'LB_GPU')) or espressomd.has_features(
'SHANCHEN'),
"Both LB and LB_GPU not compiled in or SHANCHEN activated, can not check functionality.")
class TestCylindricalLBObservable(ut.TestCase):
"""
Testcase for the CylindricalFluxDensityObservable.
@@ -54,9 +59,13 @@ class TestCylindricalLBObservable(ut.TestCase):
@classmethod
def setUpClass(self):
self.lbf_gpu = espressomd.lb.LBFluidGPU(agrid=1.0, fric=1.0, dens=1.0, visc=1.0, tau=0.01)
self.lbf_cpu = espressomd.lb.LBFluid(agrid=1.0, fric=1.0, dens=1.0, visc=1.0, tau=0.01)
if espressomd.has_features('LB_GPU'):
self.lbf_gpu = espressomd.lb.LBFluidGPU(
agrid=1.0, fric=1.0, dens=1.0, visc=1.0, tau=0.01)
if espressomd.has_features('LB'):
self.lbf_cpu = espressomd.lb.LBFluid(
agrid=1.0, fric=1.0, dens=1.0, visc=1.0, tau=0.01)
def tearDown(self):
del self.positions[:]
@@ -83,7 +92,7 @@ def pol_coords(self):
for i, p in enumerate(self.positions):
tmp = p - np.array(self.params['center'])
tmp = self.swap_axis_inverse(tmp, self.params['axis'])
positions[i,:] = tests_common.transform_pos_from_cartesian_to_polar_coordinates(
positions[i, :] = tests_common.transform_pos_from_cartesian_to_polar_coordinates(
tmp)
return positions
@@ -104,8 +113,8 @@ def set_fluid_velocity(self):
[node_positions[i], node_positions[i], node_positions[i]])
v_y = (position[0] * np.sqrt(position[0]**2.0 + position[1]**2.0) * self.v_phi +
position[1] * self.v_r) / np.sqrt(position[0]**2.0 + position[1]**2.0)
v_x = (self.v_r * np.sqrt(position[0]**2.0 + position[1] **
2.0) - position[1] * v_y) / position[0]
v_x = (
self.v_r * np.sqrt(position[0]**2.0 + position[1]**2.0) - position[1] * v_y) / position[0]
velocity = np.array([v_x, v_y, self.v_z])
velocity = self.swap_axis(velocity, self.params['axis'])
position = self.swap_axis(position, self.params['axis'])
@@ -125,8 +134,8 @@ def set_fluid_velocity_on_all_nodes(self):
position = np.array([x, y, z])
v_y = (position[0] * np.sqrt(position[0]**2.0 + position[1]**2.0) * self.v_phi +
position[1] * self.v_r) / np.sqrt(position[0]**2.0 + position[1]**2.0)
v_x = (self.v_r * np.sqrt(position[0]**2.0 + position[1] **
2.0) - position[1] * v_y) / position[0]
v_x = (
self.v_r * np.sqrt(position[0]**2.0 + position[1]**2.0) - position[1] * v_y) / position[0]
velocity = np.array([v_x, v_y, self.v_z])
velocity = self.swap_axis(velocity, self.params['axis'])
position = self.swap_axis(position, self.params['axis'])
@@ -147,7 +156,7 @@ def normalize_with_bin_volume(self, histogram):
self.params['max_z'])
# Normalization
for i in range(self.params['n_r_bins']):
histogram[i,:,:] /= bin_volume[i]
histogram[i, :, :] /= bin_volume[i]
return histogram
def LB_fluxdensity_profile_test(self):
@@ -162,13 +171,16 @@ def LB_fluxdensity_profile_test(self):
self.params['n_phi_bins'],
self.params['n_z_bins'],
3)
core_hist_v_r = core_hist[:,:,:, 0]
core_hist_v_phi = core_hist[:,:,:, 1]
core_hist_v_z = core_hist[:,:,:, 2]
core_hist_v_r = core_hist[:, :, :, 0]
core_hist_v_phi = core_hist[:, :, :, 1]
core_hist_v_z = core_hist[:, :, :, 2]
self.pol_positions = self.pol_coords()
np_hist, _ = np.histogramdd(self.pol_positions, bins=(self.params['n_r_bins'],
self.params['n_phi_bins'],
self.params['n_z_bins']),
np_hist, _ = np.histogramdd(
self.pol_positions, bins=(self.params['n_r_bins'],
self.params[
'n_phi_bins'],
self.params[
'n_z_bins']),
range=[(self.params['min_r'],
self.params['max_r']),
(self.params['min_phi'],
@@ -180,7 +192,7 @@ def LB_fluxdensity_profile_test(self):
np.testing.assert_array_almost_equal(
np_hist * self.v_phi, core_hist_v_phi)
np.testing.assert_array_almost_equal(np_hist * self.v_z, core_hist_v_z)
self.assertEqual(p.n_values(), len(np_hist.flatten())*3)
self.assertEqual(p.n_values(), len(np_hist.flatten()) * 3)
def LB_velocity_profile_at_particle_positions_test(self):
self.set_fluid_velocity()
@@ -194,13 +206,16 @@ def LB_velocity_profile_at_particle_positions_test(self):
self.params['n_phi_bins'],
self.params['n_z_bins'],
3)
core_hist_v_r = core_hist[:,:,:, 0]
core_hist_v_phi = core_hist[:,:,:, 1]
core_hist_v_z = core_hist[:,:,:, 2]
core_hist_v_r = core_hist[:, :, :, 0]
core_hist_v_phi = core_hist[:, :, :, 1]
core_hist_v_z = core_hist[:, :, :, 2]
self.pol_positions = self.pol_coords()
np_hist, _ = np.histogramdd(self.pol_positions, bins=(self.params['n_r_bins'],
self.params['n_phi_bins'],
self.params['n_z_bins']),
np_hist, _ = np.histogramdd(
self.pol_positions, bins=(self.params['n_r_bins'],
self.params[
'n_phi_bins'],
self.params[
'n_z_bins']),
range=[(self.params['min_r'],
self.params['max_r']),
(self.params['min_phi'],
@@ -211,10 +226,11 @@ def LB_velocity_profile_at_particle_positions_test(self):
if x[...] > 0.0:
x[...] /= x[...]
np.testing.assert_array_almost_equal(np_hist * self.v_r, core_hist_v_r)
np.testing.assert_array_almost_equal(np_hist * self.v_phi, core_hist_v_phi)
np.testing.assert_array_almost_equal(
np_hist * self.v_phi, core_hist_v_phi)
np.testing.assert_array_almost_equal(np_hist * self.v_z, core_hist_v_z)
self.assertEqual(p.n_values(), len(np_hist.flatten())*3)
self.assertEqual(p.n_values(), len(np_hist.flatten()) * 3)
def LB_velocity_profile_test(self):
self.set_fluid_velocity_on_all_nodes()
# Set up the Observable.
@@ -235,13 +251,16 @@ def LB_velocity_profile_test(self):
self.params['n_phi_bins'],
self.params['n_z_bins'],
3)
core_hist_v_r = core_hist[:,:,:, 0]
core_hist_v_phi = core_hist[:,:,:, 1]
core_hist_v_z = core_hist[:,:,:, 2]
core_hist_v_r = core_hist[:, :, :, 0]
core_hist_v_phi = core_hist[:, :, :, 1]
core_hist_v_z = core_hist[:, :, :, 2]
self.pol_positions = self.pol_coords()
np_hist, _ = np.histogramdd(self.pol_positions, bins=(self.params['n_r_bins'],
self.params['n_phi_bins'],
self.params['n_z_bins']),
np_hist, _ = np.histogramdd(
self.pol_positions, bins=(self.params['n_r_bins'],
self.params[
'n_phi_bins'],
self.params[
'n_z_bins']),
range=[(self.params['min_r'],
self.params['max_r']),
(self.params['min_phi'],
@@ -252,55 +271,72 @@ def LB_velocity_profile_test(self):
if x[...] > 0.0:
x[...] /= x[...]
np.testing.assert_array_almost_equal(np_hist * self.v_r, core_hist_v_r)
np.testing.assert_array_almost_equal(np_hist * self.v_phi, core_hist_v_phi)
np.testing.assert_array_almost_equal(
np_hist * self.v_phi, core_hist_v_phi)
np.testing.assert_array_almost_equal(np_hist * self.v_z, core_hist_v_z)
self.assertEqual(p.n_values(), len(np_hist.flatten())*3)
self.assertEqual(p.n_values(), len(np_hist.flatten()) * 3)
def test_x_axis(self):
@ut.skipIf(not espressomd.has_features('LB'), "LB not compiled in, skipping test.")
def test_x_axis_cpu(self):
self.params['axis'] = 'x'
self.lbf = self.lbf_gpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.LB_velocity_profile_test()
self.system.actors.remove(self.lbf)
self.lbf = self.lbf_cpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.system.actors.remove(self.lbf)
def test_y_axis(self):
@ut.skipIf(not espressomd.has_features('LB'), "LB not compiled in, skipping test.")
def test_y_axis_cpu(self):
self.params['axis'] = 'y'
self.lbf = self.lbf_gpu
self.lbf = self.lbf_cpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.LB_velocity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.system.actors.remove(self.lbf)
@ut.skipIf(not espressomd.has_features('LB'), "LB not compiled in, skipping test.")
def test_z_axis_cpu(self):
self.params['axis'] = 'z'
self.lbf = self.lbf_cpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.system.actors.remove(self.lbf)
def test_z_axis(self):
self.params['axis'] = 'z'
@ut.skipIf(not espressomd.has_features('LB_GPU'), "LB_GPU not compiled in, skipping test.")
def test_x_axis_gpu(self):
self.params['axis'] = 'x'
self.lbf = self.lbf_gpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.LB_velocity_profile_test()
self.system.actors.remove(self.lbf)
self.lbf = self.lbf_cpu
@ut.skipIf(not espressomd.has_features('LB_GPU'), "LB_GPU not compiled in, skipping test.")
def test_y_axis_gpu(self):
self.params['axis'] = 'y'
self.lbf = self.lbf_gpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.LB_velocity_profile_test()
self.system.actors.remove(self.lbf)
@ut.skipIf(not espressomd.has_features('LB_GPU'), "LB_GPU not compiled in, skipping test.")
def test_z_axis_gpu(self):
self.params['axis'] = 'z'
self.lbf = self.lbf_gpu
self.system.actors.add(self.lbf)
self.LB_fluxdensity_profile_test()
self.LB_velocity_profile_at_particle_positions_test()
self.LB_velocity_profile_test()
self.system.actors.remove(self.lbf)
if __name__ == "__main__":
suite = ut.TestSuite()
suite.addTests(ut.TestLoader().loadTestsFromTestCase(

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