Merge branch '610-invalid-tags-and-labels-test' into 'development'

FIx tags and labels test

Closes #610

See merge request damask/DAMASK!1180

Author: MarDiehl

src/mesh/DAMASK_mesh.f90

@@ -139,7 +139,9 @@ program DAMASK_mesh
 ! check valid tags/labels
     do m = 1, size(step_mech)
       mech_BC => step_mech%get_dict(m)
-      if (mech_BC%contains('label')) then
+      if (mech_BC%contains('label') .and. mech_BC%contains('tag')) then
+        call IO_error(812_pI16, '"label" and "tag" are given for boundary condition', m, emph=[2])
+      elseif (mech_BC%contains('label')) then
         bc_label = mech_BC%get_asStr('label')
         boundary = findloc(mesh_bcLabels, bc_label, dim = 1)
         if (boundary == 0) &                                                                        ! label not defined in mesh file

tests/integration/test_mesh_tags_labels.py

@@ -7,8 +7,8 @@
 
     *** TEST FOR TAGS AND LABELS EQUIVALENCE ***
 
-    Ensure the results of a simulation are the same whether boundary conditions
-    are applied using the corresponding tags or labels.
+    Ensure the results of a simulation are the same when boundary conditions
+    are applied using either of the tag or label of a mesh group.
 
     Parametrization:
      - Mesh file
@@ -23,7 +23,7 @@
 
     - load.yaml: load file (-l)
     - material_base.yaml: material file (-m; without orientations)
-    - List of meshes (from all other mesh tests)
+    - several mesh files (from all other mesh tests)
     - numerics.yaml: numerics configuration (-n)
 
     ------------------------------------------------------------------------ """
@@ -33,7 +33,7 @@ def res_path(res_path_base):
     """Directory containing testing resources."""
     return res_path_base/'mesh_tags_labels'
 
-def bc_setup(tmp_path, load_file, np_rng, n_D):
+def bc_setup(np_rng, n_D):
     """Randomized displacement boundary conditions."""
     # Randomly set displacement BC (v in 2D, w in 3D)
     dot_u = ['x', 'x', 'x']
@@ -42,26 +42,24 @@ def bc_setup(tmp_path, load_file, np_rng, n_D):
     return dot_u
 
 
-def load_setup(tmp_path, load_file, mesh, np_rng, dot_u, n_D, key, label):
+def load_setup(load_config, mesh_file, np_rng, dot_u, n_D, key, label):
     """Randomized displacement boundary conditions."""
     # Set up load file
     # Use key 'label' or 'tag'. If the latter, retrieve the tag corresponding
     # to 'label' from the mesh file
-    load_config = damask.YAML.load(tmp_path/f'{load_file}.yaml')
 
-    if key == 'by_label':
-        load_config['loadstep'][0]['boundary_conditions']['mechanical'][1]['label'] = label
-        load_config['loadstep'][0]['boundary_conditions']['mechanical'][1]['dot_u'] = dot_u
+    if key == 'label':
+        load_config['loadstep'][0]['boundary_conditions']['mechanical'][1] = \
+            {'label': label, 'dot_u': dot_u}
     else:
-        tag = get_tag_from_label(tmp_path, mesh, label)
-        rename_key_nested(load_config, 'label', 'tag')
-        load_config['loadstep'][0]['boundary_conditions']['mechanical'][1]['tag']   = label
-        load_config['loadstep'][0]['boundary_conditions']['mechanical'][1]['dot_u'] = dot_u
+        tag = get_tag_from_label(mesh_file, label)
+        load_config['loadstep'][0]['boundary_conditions']['mechanical'][1] = \
+            {'tag': tag, 'dot_u': dot_u}
 
-    load_config.save(tmp_path/f'{load_file}.yaml')
+    return load_config
 
 
-def material_setup(tmp_path, mat_file, np_rng):
+def material_setup(mat_config, np_rng):
     """
     Randomized material properties.
 
@@ -88,28 +86,18 @@ def material_setup(tmp_path, mat_file, np_rng):
     print('eigenvalues', eigvals)
 
     # Set up material file
-    mat_config = damask.YAML.load(tmp_path/f'{mat_file}_base.yaml')
     mat_config['phase']['phase_0']['mechanical']['elastic'] = \
         {'type':'Hooke', 'C_11': C_11, 'C_12': C_12, 'C_44': C_44,
                          'C_33': C_33, 'C_13': C_13, 'C_66': C_66}
-    mat_config.save(tmp_path/f'{mat_file}.yaml')
-    mat_config = damask.ConfigMaterial.load(tmp_path/f'{mat_file}.yaml')
     mat_config = mat_config.material_add(phase = ['phase_0'],
                                          O = damask.Rotation.from_random(15,rng_seed=np_rng),
                                          homogenization = 'SX')
-    mat_config.save(tmp_path/f'{mat_file}.yaml')
+    return mat_config
 
 
-def damask_results(tmp_path, job):
-    """Retrieve numerical solution from DADF5 file"""
-    res = damask.Result(tmp_path/f'{job}.hdf5').view(increments=1)
-
-    return res.get('u_n')
-
-
-def get_tag_from_label(tmp_path, mesh, label):
+def get_tag_from_label(mesh_file, label):
     """ Find number of physical groups."""
-    with open(tmp_path/f'{mesh}.msh', 'r') as f:
+    with open(mesh_file, 'r') as f:
         while True:
             if f.readline().rstrip() == '$PhysicalNames':
                 break
@@ -123,17 +111,6 @@ def get_tag_from_label(tmp_path, mesh, label):
 
         raise ValueError(f'"{label}" not found')
 
-
-def rename_key_nested(dictionary, old_key, new_key):
-    """ Rename a key in a nested dictionary."""
-    # https://www.geeksforgeeks.org/python/how-to-change-the-name-of-a-key-in-dictionary/
-    for key in list(dictionary.keys()):
-        if isinstance(dictionary[key], dict):
-            rename_key_nested(dictionary[key], old_key, new_key)
-        if key == old_key:
-            dictionary[new_key] = dictionary.pop(old_key)
-
-
 try:
     mark_old_PETSc = pytest.mark.xfail(pytest.petsc_version()<'3.24.0', reason='Not implemented')
 except EnvironmentError:
@@ -152,30 +129,22 @@ def rename_key_nested(dictionary, old_key, new_key):
                           ('2', 'singleCrystal', 'tensionZ')])
 def test_mesh_tags_labels(res_path, copy_files, tmp_path, np_rng,
                           n_D, mesh_file, label, petsc_version):
-    copy_files(res_path, tmp_path)
-    mesh = f'{mesh_file}'
-    load = 'load'
-    mat  = 'material'
+    copy_files(res_path, tmp_path, [f'{mesh_file}.msh', 'numerics.yaml'])
 
-    dot_u = bc_setup(tmp_path, load, np_rng, n_D)
-    material_setup(tmp_path, mat, np_rng)
+    load_config = damask.YAML.load(res_path/'load.yaml')
+    mat_config = damask.ConfigMaterial.load(res_path/'material_base.yaml')
+    dot_u = bc_setup(np_rng, n_D)
 
-    for key in ['by_label', 'by_tag']:
-        job = f'{mesh}_{key}'
-
-        load_setup(tmp_path, load, mesh, np_rng, dot_u, n_D, key, label)
+    material_setup(mat_config, np_rng).save(tmp_path/'material.yaml')
+    for key in ['label', 'tag']:
+        load_setup(load_config, tmp_path/f'{mesh_file}.msh', np_rng, dot_u, n_D, key,
+                   label).save(tmp_path/f'load_{key}.yaml')
 
         """ Numerical solution """
-        try:
-            if n_D == 3 and dot_u.count('x') == 0 and petsc_version() < '3.24.1':
-                pytest.xfail('solved in https://gitlab.com/petsc/petsc/-/merge_requests/8188')
-        except EnvironmentError:
-            pass
-
-        damask.util.run(f'damask_mesh -m {mat}.yaml -l {load}.yaml -g {mesh}.msh ' +
-                        f'-n numerics.yaml -j {job}', wd = tmp_path)
+        damask.util.run(f'damask_mesh -m material.yaml -l load_{key}.yaml -g {mesh_file}.msh ' +
+                        f'-n numerics.yaml -j {key}', wd = tmp_path)
 
     # Results comparison
-    with_label = damask_results(tmp_path, f'{mesh}_by_label'),
-    with_tag   = damask_results(tmp_path, f'{mesh}_by_tag'),
-    assert(np.allclose(with_label, with_tag, rtol = 1.0e-14, atol = 1.0e-14))
+    u_n_label = damask.Result(tmp_path/'label.hdf5').view(increments=-1).get('u_n')
+    u_n_tag = damask.Result(tmp_path/'tag.hdf5').view(increments=-1).get('u_n')
+    assert(np.allclose(u_n_label, u_n_tag, rtol = 1.0e-14, atol = 1.0e-14))