Improve tests (#138)

* Fix bug in systemtest where ref data was always regenerated

* Reduce test verbosity

* Fix flaky optmagk test

* Use persistent swpref in sw_timeit

* Fix PCSMO system test twin matrix

* Silence warnings in tests

* OpenMP mex improvements

Zero initialises arrays in chol_omp
  seems to fix remaining flaky mex tests
Change omp critical to atomic for better performance

* Improve optmagstr params test with new mock

* Fix chol_omp error code collision

+sw_tests/+system_tests/systemtest_spinwave.m

@@ -4,10 +4,11 @@
     properties
         generate_reference_data = false;
         reference_data = [];
-        reference_data_dir = fullfile('.', 'test_data');
+        reference_data_dir = fullfile('.', 'test_data', 'system_tests');
         relToll = 0.01;
         absToll = 1e-6;
         swobj = [];
+        cleanup_warnings = {};
     end
 
     methods (TestClassSetup)
@@ -183,6 +184,11 @@ function generate_or_verify_generic(testCase, data, fieldname)
                 testCase.verify_test_data(data, testCase.reference_data.(fieldname));
             end
         end
+        function disable_warnings(testCase, varargin)
+            testCase.cleanup_warnings = [testCase.cleanup_warnings, ...
+                {onCleanup(@(c) cellfun(@(c) warning('on', c), varargin))}];
+            cellfun(@(c) warning('off', c), varargin);
+        end
     end
 
 end

+sw_tests/+system_tests/systemtest_spinwave_incommensurate_and_supercell_consistency.m

@@ -48,6 +48,7 @@ function test_AFM_kagome(testCase)
             % use structural unit cell with incommensurate k
             AF33kagome.genmagstr('mode','helical','unit','lu', 'k', k,...
                                  'n',n, 'S', S, 'nExt',[1 1 1]);
+            testCase.disable_warnings('spinw:spinwave:NonPosDefHamiltonian');
             spec_incom = AF33kagome.spinwave(qarg, 'hermit', true);
             spec_incom = sw_egrid(spec_incom, 'component','Sperp', 'Evect',evec);
             % use supercell k=0 structure
@@ -64,7 +65,7 @@ function test_AFM_kagome(testCase)
         function test_two_matom_per_unit_cell(testCase)
             % setup structure (taken from tutorial 19)
             FeCuChain = spinw;
-            FeCuChain.genlattice('lat_const',[3 8 4],'spgr','P 1')
+            FeCuChain.genlattice('lat_const',[3 8 4],'sym','P 1')
             FeCuChain.addatom('label','MCu2','r',[0 0 0])
             FeCuChain.addatom('label','MFe2','r',[0 1/2 0])
 
@@ -84,6 +85,9 @@ function test_two_matom_per_unit_cell(testCase)
             evec = 0:1.5:5;
 
             % use structural unit cell with incommensurate k
+            testCase.disable_warnings('spinw:spinwave:NonPosDefHamiltonian', ...
+                                      'spinw:magstr:NotExact', ...
+                                      'spinw:spinwave:Twokm');
             FeCuChain.genmagstr('mode','helical','k', k,...
                                 'S', S, 'nExt',[1 1 1]);
             spec_incom = FeCuChain.spinwave(qarg, 'hermit', true);
@@ -101,7 +105,7 @@ function test_two_matom_per_unit_cell(testCase)
 
         function test_two_sym_equiv_matoms_per_unit_cell(testCase)
             sw = spinw;
-            sw.genlattice('lat_const',[4,5,12],'spgr','I m m m')
+            sw.genlattice('lat_const',[4,5,12],'sym','I m m m')
             sw.addatom('S', 1, 'r',[0 0 0]);
             sw.addmatrix('label', 'J', 'value', 1);
             sw.addmatrix('label', 'A', 'value', diag([0 0 -0.1]))
@@ -116,6 +120,7 @@ function test_two_sym_equiv_matoms_per_unit_cell(testCase)
             evec = 0:0.5:1.5;
 
             % use structural unit cell with incommensurate k
+            testCase.disable_warnings('spinw:genmagstr:SnParallel');
             sw.genmagstr('mode','helical','k', k,...
                                 'S', S, 'nExt',[1 1 1]);
             spec_incom = sw.spinwave(qarg, 'hermit', true);

+sw_tests/+system_tests/systemtest_spinwave_pcsmo.m

@@ -90,6 +90,8 @@ function test_pcsmo(testCase, usehorace)
                 testCase.verify_test_data({w0(1:numel(w1)) s0(1:numel(w1))}, {w1 s1});
                 testCase.generate_or_verify_generic({w0 s0}, 'data_horace');
             else
+                testCase.swobj.twin.rotc(3,3,2) = 0;  % Changed in code #85, but not in test .mat file
+                testCase.disable_warnings('spinw:spinwave:NonPosDefHamiltonian');
                 spec = testCase.swobj.spinwave(qln, 'formfact', true, 'saveV', true, 'saveH', true, 'optmem', 2);
                 spec = sw_egrid(spec, 'Evect', linspace(0, 100, 200));
                 spec = sw_neutron(spec);

+sw_tests/+unit_tests/unittest_spinw_addatom.m

@@ -102,6 +102,7 @@ function test_add_single_atom_custom_parameters(testCase, property_value)
 
         function test_add_atom_with_custom_scatt_length(testCase, b_name)
             b = 2;
+            testCase.disable_warnings('spinw:addatom:DeprecationWarning');
             testCase.swobj.addatom('r', [0;0;0], b_name, b)
             expected_unit_cell = testCase.default_unit_cell;
             expected_unit_cell.b = [b; 1];

+sw_tests/+unit_tests/unittest_spinw_genlattice.m

@@ -65,12 +65,14 @@ function test_spgr_throws_deprecation_warning(testCase)
         end
 
         function test_spgr_and_sym_throws_error(testCase)
+            testCase.disable_warnings('spinw:genlattice:DeprecationWarning');
             testCase.verifyError(...
                 @() testCase.swobj.genlattice('spgr', 3, 'sym', 3), ...
                 'spinw:genlattice:WrongInput');
         end
 
         function test_spacegroup_property(testCase, sym_param_name, spgr)
+            testCase.disable_warnings('spinw:genlattice:DeprecationWarning');
             testCase.swobj.genlattice(sym_param_name, spgr);
             expected_latt = testCase.default_latt;
             expected_latt.sym = testCase.P2_sym;
@@ -79,13 +81,15 @@ function test_spacegroup_property(testCase, sym_param_name, spgr)
         end
 
         function test_label_always_used(testCase, sym_param_name, spgr_type)
+            testCase.disable_warnings('spinw:genlattice:DeprecationWarning');
             label = 'label';
             testCase.swobj.genlattice(sym_param_name, spgr_type, ...
                 'label', label);
             testCase.verify_val(testCase.swobj.lattice.label, label)
         end
 
         function test_spacegroup_with_sym_operation_matrix(testCase, sym_param_name)
+            testCase.disable_warnings('spinw:genlattice:DeprecationWarning');
             testCase.swobj.genlattice(sym_param_name, testCase.P2_sym);
             expected_latt = testCase.default_latt;
             expected_latt.sym = testCase.P2_sym;
@@ -166,6 +170,7 @@ function test_basis_vector_and_rotation_matrix(testCase, basis_vecs)
         function test_spacegroup_with_cell_input(testCase, sym_param_name)
             spgr_str = '-x,y,-z';
             label = 'label';
+            testCase.disable_warnings('spinw:genlattice:DeprecationWarning');
             testCase.swobj.genlattice(sym_param_name, {spgr_str, label});
             expected_latt = testCase.default_latt;
             expected_latt.sym = testCase.P2_sym;

+sw_tests/+unit_tests/unittest_spinw_genmagstr.m

@@ -392,7 +392,7 @@ function test_helical_multiatom_nExt_nMagExt_spins(testCase)
                 'k', k', ...
                 'nExt', nExt, ...
                 'F', [-1i 2 0 -2; 1 2i 0 -2i; 0 0 1 0]);
-             testCase.verify_obj(swobj.mag_str, expected_mag_str);
+            testCase.verify_obj(swobj.mag_str, expected_mag_str);
         end
         function test_helical_multiatom_multik_multin(testCase)
             swobj = copy(testCase.swobj);
@@ -536,8 +536,9 @@ function test_tile_multik_provided_k_set_to_zero(testCase)
             swobj.addatom('r', [0.5 0.5 0], 'S', 1);
             S = cat(3, [1 0; 0 1; 0 0], [0 1; 0 0; 1 0]);
             k = 0.5*ones(size(S, 3), 3);
-            swobj.genmagstr('mode', 'tile', ...
-                              'S', S, 'k', k);
+            testCase.assertWarning(...
+                @() swobj.genmagstr('mode', 'tile', 'S', S, 'k', k), ...
+                'spinw:genmagstr:UnreadInput');
             expected_mag_str = testCase.default_mag_str;
             expected_mag_str.F = sqrt(2)/2*[1 1; 0 1; 1 0];
             testCase.verify_obj(swobj.mag_str, expected_mag_str);
@@ -652,4 +653,4 @@ function test_func_custom_symbolic(testCase)
             testCase.verify_obj(swobj.mag_str, expected_mag_str);
         end
     end
-end
+end

+sw_tests/+unit_tests/unittest_spinw_intmatrix.m

@@ -128,7 +128,9 @@ function test_intmatrix_fitmode_true_plotmode_true(testCase)
         end
 
         function test_intmatrix_fitmode_true_DM_interaction(testCase)
-            testCase.swobj.addcoupling('mat', 'D', 'bond', 3, 'subIdx', 1);
+            testCase.verifyWarning( ...
+                @() testCase.swobj.addcoupling('mat', 'D', 'bond', 3, 'subIdx', 1), ...
+                'spinw:addcoupling:SymetryLowered');
 
             [SS, SI, RR] = testCase.swobj.intmatrix('fitmode', true);
 
@@ -142,6 +144,7 @@ function test_intmatrix_fitmode_true_DM_interaction(testCase)
 
         function test_intmatrix_fitmode_false(testCase)
             % add all different types of interaction
+            testCase.disable_warnings('spinw:addcoupling:SymetryLowered');
             testCase.swobj.addmatrix('label','Janiso','value', ...
                                      diag([1,2,3]))
             for mat_name = {'D', 'gen', 'Janiso'}
@@ -171,7 +174,9 @@ function test_intmatrix_zeroC_false_removes_zero_matrices(testCase)
 
         function test_intmatrix_conjugate(testCase)
             % add coupling between two different atoms
-            testCase.swobj.addcoupling('mat', 'gen', 'bond', 3, 'subIdx', 1);
+            testCase.verifyWarning( ...
+                @() testCase.swobj.addcoupling('mat', 'gen', 'bond', 3, 'subIdx', 1), ...
+                'spinw:addcoupling:SymetryLowered');
             % zero other couplings for brevity (will be omitted by zeroC)
             testCase.swobj.addmatrix('label', 'J1', 'value', 0)
             testCase.swobj.addmatrix('label', 'J2', 'value', 0)
@@ -234,6 +239,7 @@ function test_extend_true_with_supercell(testCase)
         end
 
         function test_sortDM_reorders_bonds(testCase)
+            testCase.disable_warnings('spinw:addcoupling:SymetryLowered');
             testCase.swobj.addmatrix('label', 'J2', 'value', 0);
             % make face-centred to have bond order depend on  sortDM
             testCase.swobj.genlattice('sym', 'F m m m');
@@ -287,6 +293,7 @@ function symbolic_obj_with_fitmode_true(testCase)
 
         function symbolic_obj_with_fitmode_false(testCase)
             % add all different types of interaction
+            testCase.disable_warnings('spinw:addcoupling:SymetryLowered');
             testCase.swobj.addmatrix('label','Janiso','value', ...
                                      diag([1,2,3]))
             for mat_name = {'D', 'gen', 'Janiso'}

+sw_tests/+unit_tests/unittest_spinw_optmagk.m

@@ -74,7 +74,8 @@ function test_fm_chain_optk(testCase)
         function test_afm_chain_optk(testCase)
             testCase.swobj.addmatrix('label', 'J1', 'value', 1);
             testCase.swobj.addcoupling('mat', 'J1', 'bond', 1);
-            testCase.swobj.optmagk;
+            % Use seed for reproducibility
+            testCase.swobj.optmagk('seed', 1);
             expected_mag_str = testCase.default_mag_str;
             expected_mag_str.k = [0.5; 0; 0];
             testCase.verify_val(testCase.swobj.mag_str, expected_mag_str, ...

+sw_tests/+unit_tests/unittest_spinw_optmagsteep.m

@@ -169,6 +169,7 @@ function test_output_to_fid(testCase)
         end
 
         function test_plot_moment_each_iteration(testCase, existing_plot)
+            testCase.disable_warnings('MATLAB:dispatcher:nameConflict');
             if existing_plot
                 existing_fig = testCase.swobj.plot();
             end
@@ -217,10 +218,10 @@ function test_not_move_moments_in_field_more_than_Hmin(testCase)
 
         function test_multiple_atoms_in_unit_cell(testCase)
             testCase.swobj.addatom('r',[0.5; 0.5; 0.5],'S',1)
-            testCase.swobj.gencoupling('maxDistance', 6);
+            testCase.swobj.gencoupling('maxDistance', 6, 'dMin', 0.1);
             testCase.swobj.addaniso('A'); % add again as cleared above
             % add AFM coupling of spins in same unit cell
-            testCase.swobj.addcoupling('mat', 'J1', 'bond', 3, 'dMin', 0.1);
+            testCase.swobj.addcoupling('mat', 'J1', 'bond', 3);
             testCase.swobj.genmagstr('mode', 'direct', 'S', [0 0; 0 0; 1 1], ...
                                     'k',[0, 0, 0]); % FM initial state
 

+sw_tests/+unit_tests/unittest_spinw_optmagstr.m

@@ -125,6 +125,7 @@ function test_optmagstr_tri_af_out_planar_xmin_xmax(testCase)
         function test_optmagstr_tri_af_nExt_init(testCase)
             % Test that if a magnetic structure is initialised with nExt,
             % it is used in optmagstr
+            testCase.disable_warnings('spinw:genmagstr:SnParallel');
             testCase.tri.genmagstr('mode', 'random', 'nExt', [3 1 1]);
             testCase.tri.optmagstr('func', @gm_planar, ...
                                    'xmin', [0 pi/2 pi 0 0 0 0 0], ...
@@ -195,6 +196,7 @@ function test_optmagstr_tri_af_custom_func_wrong_number_of_inputs(testCase)
         end
 
         function test_optmagstr_tri_af_epsilon(testCase)
+            testCase.disable_warnings('spinw:genmagstr:SnParallel');
             % Test that large epsilon doesn't rotate spins
             testCase.tri.optmagstr('epsilon', 1.);
             expected_mag_str = testCase.opt_tri_mag_str;
@@ -235,19 +237,18 @@ function test_optmagstr_tri_tid(testCase)
         end
 
         function test_optmagstr_optimisation_params(testCase, optparams)
-            % We could just mock optimset and check correct args are passed
-            % through, but Matlab doesn't allow mocking functions, and our
-            % mock_function doesn't support complex return values such as
-            % structs. So just check the output struct. O.
-            % We could also check for non-convergence but this is a bit
-            % flaky on different systems.
             xmin = [0 0  0 0 0 0 0];
             xmax = [pi/2 0 1/2 0 0 0 0];
-            out = testCase.afc.optmagstr('xmin', xmin, 'xmax', xmax, ...
-                                         optparams{:});
-            % Test that params are in output struct
-            for i=1:2:length(optparams)
-                testCase.verifyEqual(out.param.(optparams{i}), optparams{i+1})
+            mock_optimset = sw_tests.utilities.mock_function('optimset', ...
+                optimset('Display', 'off', optparams{:}));
+            testCase.disable_warnings('spinw:genmagstr:SnParallel');
+            testCase.afc.optmagstr('xmin', xmin, 'xmax', xmax, ...
+                                   optparams{:});
+            testCase.assertEqual(mock_optimset.n_calls, 1);
+            argslower = cellfun(@(c) lower(c), mock_optimset.arguments{1}(1:2:end), 'UniformOutput', false);
+            for ii = find(ismember(argslower, optparams(1:2:end)))
+                jj = find(ismember(optparams(1:2:end), argslower{ii}));
+                testCase.verifyEqual(mock_optimset.arguments{1}{2*ii}, optparams{2*jj});
             end
         end
 
@@ -280,6 +281,7 @@ function test_dm_multiatom_spherical3d(testCase)
             sq.addcoupling('mat', 'DM', 'bond', 1);
             sq.addmatrix('value', 1, 'label', 'J1');
             sq.addcoupling('mat', 'J1', 'bond', 2);
+            testCase.disable_warnings('spinw:genmagstr:SnParallel');
             % Sometimes fails to find min, run multiple times
             sq.optmagstr('func', @gm_spherical3d, ...
                          'xmin', [-pi/2 -pi -pi/2 -pi, 0 0 0, 0 0], ...
@@ -298,4 +300,4 @@ function test_dm_multiatom_spherical3d(testCase)
 
     end
 
-end
+end