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How to use assertIsInstance method in pytest-benchmark
Best Python code snippet using pytest-benchmark
test_restrict_isometry.py
Source:test_restrict_isometry.py 
...15 space = rot2dOnR2(-1, maximum_frequency=10)16 17 subspace, mapping, _ = space.restrict(4)18 19 self.assertIsInstance(subspace, GSpace2D)20 self.assertEqual(subspace.fibergroup.order(), 4)21 22 self.check_restriction(space, 4)23 def test_restrict_rotations_to_trivial(self):24 25 space = rot2dOnR2(-1, maximum_frequency=10)26 27 subspace, mapping, _ = space.restrict(1)28 29 self.assertIsInstance(subspace, GSpace2D)30 self.assertEqual(subspace.fibergroup.order(), 1)31 self.check_restriction(space, 1)32 def test_restrict_flipsrotations(self):33 34 space = flipRot2dOnR2(-1, maximum_frequency=10)35 36 N=1037 for axis in range(13):38 axis = axis * np.pi / (13*N)39 assert axis <= np.pi / N40 subspace, mapping, _ = space.restrict((axis, N))41 42 self.assertIsInstance(subspace, GSpace2D)43 self.assertEqual(subspace.fibergroup.order(), 2 * N)44 45 self.check_restriction(space, (axis, N))46 47 def test_restrict_flipsrotations_to_rotations(self):48 49 space = flipRot2dOnR2(-1, maximum_frequency=10)50 51 subspace, mapping, _ = space.restrict((None, -1))52 53 self.assertIsInstance(subspace, GSpace2D)54 self.assertEqual(subspace.fibergroup.order(), -1)55 self.check_restriction(space, (None, -1))56 def test_restrict_flipsrotations_to_flips(self):57 58 space = flipRot2dOnR2(-1, maximum_frequency=10)59 for axis in range(13):60 axis = axis * np.pi/13.61 subspace, mapping, _ = space.restrict((axis, 1))62 63 self.assertIsInstance(subspace, GSpace2D)64 self.assertEqual(subspace.fibergroup.order(), 2)65 self.check_restriction(space, (axis, 1))66 67 def test_restrict_fliprotations_to_trivial(self):68 69 space = flipRot2dOnR2(-1, maximum_frequency=10)70 71 subspace, mapping, _ = space.restrict((None, 1))72 73 self.assertIsInstance(subspace, GSpace2D)74 self.assertEqual(subspace.fibergroup.order(), 1)75 76 self.check_restriction(space, (None, 1))77 def test_restrict_flips_to_trivial(self):78 79 space = flip2dOnR2()80 81 subspace, mapping, _ = space.restrict(1)82 83 self.assertIsInstance(subspace, GSpace2D)84 self.assertEqual(subspace.fibergroup.order(), 1)85 self.check_restriction(space, 1)86 ####################################################################################################################87 ### ########################################################################################88 ### 3D isometries ########################################################################################89 ### ########################################################################################90 ####################################################################################################################91 ####### SO(3) ######################################################################################################92 93 def test_restrict_3d_rotations_to_ico(self):94 95 space = rot3dOnR3(maximum_frequency=2)96 97 subspace, mapping, _ = space.restrict('ico')98 99 self.assertIsInstance(subspace, GSpace3D)100 self.assertIsInstance(subspace.fibergroup, Icosahedral)101 102 self.check_restriction(space, 'ico')103 def test_restrict_3d_rotations_to_octa(self):104 space = rot3dOnR3(maximum_frequency=2)105 subspace, mapping, _ = space.restrict('octa')106 self.assertIsInstance(subspace, GSpace3D)107 self.assertIsInstance(subspace.fibergroup, Octahedral)108 self.check_restriction(space, 'octa')109 def test_restrict_3d_rotations_to_2d_rotations(self):110 111 space = rot3dOnR3(maximum_frequency=2)112 113 for n in [-1, 1, 2, 4, 7]:114 sg_id = False, n115 116 subspace, mapping, _ = space.restrict(sg_id)117 118 self.assertIsInstance(subspace, GSpace3D)119 if n > 0:120 self.assertIsInstance(subspace.fibergroup, CyclicGroup)121 else:122 self.assertIsInstance(subspace.fibergroup, SO2)123 self.assertEqual(subspace.fibergroup.order(), n)124 self.check_restriction(space, sg_id)125 def test_restrict_3d_rotations_to_2d_rotations_reflections(self):126 127 space = rot3dOnR3(maximum_frequency=2)128 129 for n in [2, 4]:130 for axis in [0., np.pi/2, np.pi/4]:131 sg_id = axis, n132 133 subspace, mapping, _ = space.restrict(sg_id)134 135 self.assertIsInstance(subspace, GSpace3D)136 self.assertIsInstance(subspace.fibergroup, DihedralGroup)137 self.assertEqual(subspace.fibergroup.order(), 2*n)138 139 self.check_restriction(space, sg_id)140 def test_restrict_3d_rotations_to_2d_reflection(self):141 142 space = rot3dOnR3(maximum_frequency=2)143 144 for axis in [0., np.pi / 2, np.pi / 4]:145 sg_id = axis, 1146 147 subspace, mapping, _ = space.restrict(sg_id)148 149 self.assertIsInstance(subspace, GSpace3D)150 self.assertIsInstance(subspace.fibergroup, CyclicGroup)151 self.assertEqual(subspace.fibergroup.order(), 2)152 153 self.check_restriction(space, sg_id)154 ####### O(3) #######################################################################################################155 def test_restrict_3d_rotationinversion_so3(self):156 space = flipRot3dOnR3(maximum_frequency=2)157 sg_id = 'so3'158 159 subspace, mapping, _ = space.restrict(sg_id)160 self.assertIsInstance(subspace, GSpace3D)161 self.assertIsInstance(subspace.fibergroup, SO3)162 self.check_restriction(space, sg_id)163 164 def test_restrict_3d_rotationinversion_ico(self):165 space = flipRot3dOnR3(maximum_frequency=2)166 sg_id = False, 'ico'167 168 subspace, mapping, _ = space.restrict(sg_id)169 170 self.assertIsInstance(subspace, GSpace3D)171 self.assertIsInstance(subspace.fibergroup, Icosahedral)172 173 self.check_restriction(space, sg_id)174 def test_restrict_3d_rotationinversion_dih_o2(self):175 space = flipRot3dOnR3(maximum_frequency=2)176 177 for axis in [0., np.pi / 2, np.pi / 3, 2 * np.pi]:178 for n in [2, 4]:179 sg_id = (False, axis, n)180 subspace, mapping, _ = space.restrict(sg_id)181 182 self.assertIsInstance(subspace, GSpace3D)183 self.assertIsInstance(subspace.fibergroup, DihedralGroup)184 185 self.check_restriction(space, sg_id)186 def test_restrict_3d_rotationinversion_so2(self):187 188 space = flipRot3dOnR3(maximum_frequency=2)189 for n in [2, 4]:190 sg_id = (False, False, n)191 192 subspace, mapping, _ = space.restrict(sg_id)193 self.assertIsInstance(subspace, GSpace3D)194 self.assertIsInstance(subspace.fibergroup, CyclicGroup)195 self.check_restriction(space, sg_id)196 197 def test_restrict_3d_rotationinversion_flip(self):198 199 space = flipRot3dOnR3(maximum_frequency=2)200 for axis in [0., np.pi / 2, np.pi / 3, 2 * np.pi]:201 202 sg_id = (False, 2*axis, 1)203 204 subspace, mapping, _ = space.restrict(sg_id)205 self.assertIsInstance(subspace, GSpace3D)206 self.assertIsInstance(subspace.fibergroup, CyclicGroup)207 self.check_restriction(space, sg_id)208 def test_restrict_3d_rotationinversion_cone_o2(self):209 210 space = flipRot3dOnR3(maximum_frequency=2)211 for n in [2, 4]:212 # Cone aligned along Z axis213 # i.e., rotation along Z axis214 # on XY plane, mirror wrt Y axis (i.e. flip along X axis)215 sg_id = ('cone', 0., n)216 subspace, mapping, _ = space.restrict(sg_id)217 self.assertIsInstance(subspace, GSpace3D)218 self.assertIsInstance(subspace.fibergroup, DihedralGroup)219 self.check_restriction(space, sg_id)220 # Cone aligned along Z axis221 # i.e., rotation along Z axis222 # on XY plane, mirror wrt X axis (i.e. flip along Y axis)223 sg_id = ('cone', np.pi, n)224 subspace, mapping, _ = space.restrict(sg_id)225 self.assertIsInstance(subspace, GSpace3D)226 self.assertIsInstance(subspace.fibergroup, DihedralGroup)227 self.check_restriction(space, sg_id)228 xyz = space.fibergroup.element(229 (230 0,231 np.array([232 np.sqrt(1./3.) * np.sin(np.pi*2/3),233 np.sqrt(1./3.) * np.sin(np.pi*2/3),234 np.sqrt(1./3.) * np.sin(np.pi*2/3),235 np.cos(np.pi*2/3),236 ])237 ),238 'Q'239 )240 for adj in [xyz, xyz@xyz, xyz @ space.fibergroup.inversion, xyz @ xyz @ space.fibergroup.inversion]:241 sg_id = ('cone', 0., n, adj)242 subspace, mapping, _ = space.restrict(sg_id)243 244 self.assertIsInstance(subspace, GSpace3D)245 self.assertIsInstance(subspace.fibergroup, DihedralGroup)246 247 self.check_restriction(space, sg_id)248 def test_restrict_3d_rotationinversion_mir(self):249 250 space = flipRot3dOnR3(maximum_frequency=2)251 252 # mirror wrt Y axis (i.e. flip along X axis)253 sg_id = ('cone', 0., 1)254 subspace, mapping, _ = space.restrict(sg_id)255 256 self.assertIsInstance(subspace, GSpace3D)257 self.assertIsInstance(subspace.fibergroup, CyclicGroup)258 259 self.check_restriction(space, sg_id)260 261 # mirror wrt X axis (i.e. flip along Y axis)262 sg_id = ('cone', np.pi, 1)263 subspace, mapping, _ = space.restrict(sg_id)264 265 self.assertIsInstance(subspace, GSpace3D)266 self.assertIsInstance(subspace.fibergroup, CyclicGroup)267 268 self.check_restriction(space, sg_id)269 270 xyz = space.fibergroup.element(271 (272 0,273 np.array([274 np.sqrt(1. / 3.) * np.sin(np.pi * 2 / 3),275 np.sqrt(1. / 3.) * np.sin(np.pi * 2 / 3),276 np.sqrt(1. / 3.) * np.sin(np.pi * 2 / 3),277 np.cos(np.pi * 2 / 3),278 ])279 ),280 'Q'281 )282 283 for adj in [xyz, xyz @ xyz, xyz @ space.fibergroup.inversion, xyz @ xyz @ space.fibergroup.inversion]:284 sg_id = ('cone', 0., 1, adj)285 subspace, mapping, _ = space.restrict(sg_id)286 287 self.assertIsInstance(subspace, GSpace3D)288 self.assertIsInstance(subspace.fibergroup, CyclicGroup)289 290 self.check_restriction(space, sg_id)291 def test_restrict_3d_rotationinversion_fullcylinder_c2xo2(self):292 space = flipRot3dOnR3(maximum_frequency=2)293 for n in [2, 4]:294 sg_id = (True, True, n)295 subspace, mapping, _ = space.restrict(sg_id)296 self.assertIsInstance(subspace, GSpace3D)297 self.assertIsInstance(subspace.fibergroup, DirectProductGroup)298 self.assertIsInstance(subspace.fibergroup.G1, CyclicGroup) and subspace.fibergroup.order() == 2299 self.assertIsInstance(subspace.fibergroup.G2, DihedralGroup) and subspace.fibergroup.order() == 2*n300 self.check_restriction(space, sg_id)301 def test_restrict_3d_rotationinversion_cylinder_c2xso2(self):302 space = flipRot3dOnR3(maximum_frequency=2)303 for n in [2, 4]:304 sg_id = (True, False, n)305 subspace, mapping, _ = space.restrict(sg_id)306 self.assertIsInstance(subspace, GSpace3D)307 self.assertIsInstance(subspace.fibergroup, DirectProductGroup)308 self.assertIsInstance(subspace.fibergroup.G1, CyclicGroup) and subspace.fibergroup.order() == 2309 self.assertIsInstance(subspace.fibergroup.G2, CyclicGroup) and subspace.fibergroup.order() == n310 self.check_restriction(space, sg_id)311 def test_restrict_3d_rotationinversion_inv(self):312 313 space = flipRot3dOnR3(maximum_frequency=2)314 315 # Inversion wrt the origin316 sg_id = (True, False, 1)317 318 subspace, mapping, _ = space.restrict(sg_id)319 self.assertIsInstance(subspace, GSpace3D)320 self.assertIsInstance(subspace.fibergroup, CyclicGroup)321 self.check_restriction(space, sg_id)322 ####################################################################################################################323 def check_restriction(self, space: GSpace, subgroup_id):324 subspace, parent, child = space.restrict(subgroup_id)325 326 # rho = space.trivial_repr327 irreps = space.fibergroup.irreps()328 for rho in irreps:329 sub_rho = rho.restrict(subgroup_id)330 331 x = np.random.randn(1, rho.size, 3, 3, 3)332 333 for e in subspace.testing_elements:334 ...
species_test.py
Source:species_test.py
...40 def setUp(self):41 self.conformer = Conformer(smiles='CC')42 self.conformer_torsion_test = Conformer(smiles='CC#CC')43 def test_rmg_molecules(self):44 self.assertIsInstance(self.conformer.rmg_molecule,rmgpy.molecule.Molecule)45 def test_rdkit_mol(self):46 autotst_rdkit = self.conformer.get_rdkit_mol()47 self.assertIsInstance(autotst_rdkit,rdkit.Chem.rdchem.Mol)48 def test_ase_mol(self):49 autotst_ase_mol = self.conformer.get_ase_mol()50 self.assertIsInstance(autotst_ase_mol,ase.Atoms)51 def test_get_molecules(self):52 autotst_rdkit, autotst_ase_mol = self.conformer.get_molecules()53 self.assertIsInstance(autotst_rdkit,rdkit.Chem.rdchem.Mol)54 self.assertIsInstance(autotst_ase_mol,ase.Atoms)55 def test_get_bonds(self):56 bonds = self.conformer.get_bonds()57 self.assertIsInstance(bonds,list)58 self.assertIsInstance(bonds[0],Bond)59 self.assertEquals(len(bonds),7)60 def test_get_angles(self):61 angles = self.conformer.get_angles()62 self.assertIsInstance(angles,list)63 self.assertIsInstance(angles[0],Angle)64 self.assertEquals(len(angles),12)65 def test_get_torsions(self):66 torsions = self.conformer_torsion_test.get_torsions()67 self.assertIsInstance(torsions,list)68 self.assertEquals(len(torsions), 1)69 torsion = torsions[0]70 self.assertIsInstance(torsion, Torsion)71 self.assertEquals(len(torsion.center_atoms),2)72 self.assertEquals(torsion.mask.count(True),4)73 def test_get_cistrans(self):74 cistrans = self.conformer.get_cistrans()75 self.assertIsInstance(cistrans,list)76 self.assertEquals(len(cistrans),0)77 def test_get_chiralcenters(self):78 chiralcenters = self.conformer.get_chiral_centers()79 self.assertIsInstance(chiralcenters,list)80 self.assertEquals(len(chiralcenters),0)81 def test_get_geometries(self):82 geometries = self.conformer.get_geometries()83 self.assertIsInstance(geometries,tuple)84 self.assertIsInstance(geometries[0],list)85 self.assertIsInstance(geometries[0][0],Bond)86 self.assertIsInstance(geometries[1],list)87 self.assertIsInstance(geometries[1][0],Angle)88 self.assertIsInstance(geometries[2],list)89 self.assertIsInstance(geometries[2][0],Torsion)90 self.assertIsInstance(geometries[3],list)91 self.assertIsInstance(geometries[4],list)92 def test_calculate_symmetry_number(self):93 species_to_test = {94 "CC" : 18.0,95 96 }97 self.assertEquals(self.conformer.calculate_symmetry_number(), 18.0)98 def test_get_xyz_block(self):99 xyz_block = self.conformer.get_xyz_block()100 positions = self.conformer.ase_molecule.arrays["positions"]101 for n in range(len(positions)):102 self.assertTrue((np.array([float(x) for x in xyz_block.split('\n')[n].split()[1:]]) == positions[n]).all())103class TestSpecies(unittest.TestCase):104 def setUp(self):105 self.species = Species(smiles=["CC"])106 def test_generate_structures(self):107 self.assertIsInstance(self.species.generate_structures(),dict)108 self.assertIsInstance(list(self.species.generate_structures().values())[0][0],Conformer)109if __name__ == "__main__":...
deps_cpp_info_test.py
Source:deps_cpp_info_test.py
...10 cpp_info.includedirs = ["include1"]11 deps_cpp_info.add("pkg", DepCppInfo(cpp_info))12 info_for_package = deps_cpp_info["pkg"]13 # Documented as list for 'self.cpp_info' object14 self.assertIsInstance(info_for_package.includedirs, list)15 self.assertIsInstance(info_for_package.libdirs, list)16 self.assertIsInstance(info_for_package.resdirs, list)17 self.assertIsInstance(info_for_package.bindirs, list)18 self.assertIsInstance(info_for_package.builddirs, list)19 self.assertIsInstance(info_for_package.libs, list)20 self.assertIsInstance(info_for_package.defines, list)21 self.assertIsInstance(info_for_package.cflags, list)22 self.assertIsInstance(info_for_package.cppflags, list)23 self.assertIsInstance(info_for_package.cxxflags, list)24 self.assertIsInstance(info_for_package.sharedlinkflags, list)25 self.assertIsInstance(info_for_package.exelinkflags, list)26 self.assertIsInstance(info_for_package.frameworks, list)27 self.assertIsInstance(info_for_package.frameworkdirs, list)28 self.assertIsInstance(info_for_package.rootpath, six.string_types)29 self.assertIsInstance(info_for_package.name, six.string_types)30 self.assertIsInstance(info_for_package.system_libs, list)31 self.assertIsInstance(info_for_package.build_modules, dict)32 self.assertIsInstance(info_for_package.components, dict)33 # Documented as list for `deps_cpp_info["pkg"]`34 self.assertIsInstance(info_for_package.include_paths, list)35 self.assertIsInstance(info_for_package.lib_paths, list)36 self.assertIsInstance(info_for_package.bin_paths, list)37 self.assertIsInstance(info_for_package.build_paths, list)38 self.assertIsInstance(info_for_package.res_paths, list)39 self.assertIsInstance(info_for_package.framework_paths, list)40 self.assertIsInstance(info_for_package.build_modules_paths, dict)41 self.assertIsInstance(info_for_package.get_name("generator"), six.string_types)42 self.assertIsInstance(info_for_package.version, six.string_types)...
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