polishing

2023-11-10 12:37:41 +01:00 · 2023-11-10 12:37:41 +01:00 · 56a9dd843c
parent 562e2ea932
commit 56a9dd843c
3 changed files with 109 additions and 98 deletions
--- a/python/damask/_result.py
+++ b/python/damask/_result.py
@ -1986,7 +1986,7 @@ class Result:
        h5py._hl.attrs.AttributeManager = AttributeManagerNullterm # 'Monkey patch'

        N_digits = int(np.floor(np.log10(max(1,self.incs[-1]))))+1
-        
+
        Crystal_structure_types = {'Hexagonal': 0, 'Cubic': 1, 'Triclinic': 4, 'Monoclinic': 5, 'Orthorhombic': 6, 'Tetrogonal': 8}
        Phase_types = {'Primary': 0}
        lattice_dict = {}
@ -2020,7 +2020,7 @@ class Result:
                        phase_ID_array[at_cell_ph[c][label]] = count + 1

                job_file_no_ext = self.fname.stem
-                o = h5py.File(f'{dream_dir}/{job_file_no_ext}_{inc.split(prefix_inc)[-1].zfill(N_digits)}.dream3d','w')
+                o = h5py.File(f'{dream_dir}/{job_file_no_ext}_inc{inc.split(prefix_inc)[-1].zfill(N_digits)}.dream3d','w')
                o.attrs['DADF5toDREAM3D'] = '1.0'
                o.attrs['FileVersion']    = '7.0'

@ -2063,15 +2063,21 @@ class Result:
                # Data CrystalStructures
                crystal_structure_list = [999]
                for label in self.visible['phases']:
+
                    if lattice_dict[label] in ['hP']:
-                        crystal_structure = 'Hexogonal'
+                        crystal_structure = 'Hexagonal'
                    elif lattice_dict[label] in ['cP','cI','cF']:
                        crystal_structure = 'Cubic'
-                    elif lattice_dict[label] in ['']:
+                    elif lattice_dict[label] in ['aP']:
+                        crystal_structure = 'triclinic'
+                    elif lattice_dict[label] in ['mP','mS']:
+                        crystal_structure = 'monoclinic'
                    elif lattice_dict[label] in ['oP','oS','oI','oF']:
                        crystal_structure = 'Orthorhombic'
+                    elif lattice_dict[label] in ['tP','tI']:
+                        crystal_structure = 'tetragonal'
                    crystal_structure_list.append(Crystal_structure_types[crystal_structure])
-                o[ensemble_label + '/CrystalStructures'] = np.uint32(crystal_struture_list)
+                o[ensemble_label + '/CrystalStructures'] = np.uint32(crystal_structure_list)
                # but need to look into dream3d which crystal structure corresponds to which number
                o[ensemble_label + '/PhaseTypes']        = np.uint32(np.array([999] + [Phase_types['Primary']]*len(self.phases)))\
                                                                                        .reshape((len(self.phases)+1,1))
--- a/python/tests/resources/Result/2phase_irregularGrid.material.yaml
+++ b/python/tests/resources/Result/2phase_irregularGrid.material.yaml
@ -24,99 +24,99 @@ phase:
        xi_inf_sl: [63.e+6]
  Precipitate:
    lattice: hP
-    c/a: 1.629 
+    c/a: 1.629
    mechanical:
      output: [F, P, F_e, F_p, L_p, O]
      elastic: {type: Hooke, C_11: 162.4e9, C_12: 92.0e9, C_13: 69.0e9, C_33: 180.7e9, C_44: 49.7e9}

 material:
- constituents:
-  - phase: Aluminum
-    O: [0.1312565298463503, -0.6783546785504293, -0.5822736006738253, 0.4284438206110302]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.3891991356899201, 0.024147743013653567, 0.3536664846442759, -0.8502122893283336]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.35508306685640884, -0.3893349018602677, -0.8446679875041884, 0.09418248622184058]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.40195601820142496, -0.1636779350134876, -0.4207744499665131, 0.7966114205035945]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.044972436776441485, 0.7143848123638518, -0.24549539260737738, -0.6537307029678221]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Precipitate
-    O: [0.30372565221929093, -0.24301975423298977, -0.8125481043098195, -0.43411715632882125]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Precipitate
-    O: [0.4596497204333957, -0.39026498957046113, 0.7976125696376123, 0.015151276419962625]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.0827510723946788, 0.6317627669782209, 0.4175514636120652, -0.6478262433036925]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.2996310655335684, 0.10384972751072818, 0.8974007140905373, 0.3067709520358135]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.6358670871419496, 0.4180753134572028, -0.5146965710042285, -0.3949348295146467]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.6972058990579978, 0.2748121746094387, -0.4615030442772494, 0.4747600900749678]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.023323490584044985, -0.4124930466803271, 0.5037800801437966, 0.7586245000510248]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.5327908616905777, 0.17796155315964704, 0.602711877421405, -0.5667468359957407]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.5031041456929413, -0.4763268942553399, 0.6700266228868177, 0.2665768801275235]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Precipitate
-    O: [0.5641709021797874, 0.6941319122105223, -0.0813139963653807, -0.4396363446983193]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Aluminum
-    O: [0.40014270416551667, 0.38360239122229783, -0.040760057321212455, 0.8313083901169376]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Precipitate
-    O: [0.25941430307519847, -0.7938792882664125, -0.20362736335049575, -0.510877472508378]
-    v: 1.0
-  homogenization: SX
- constituents:
-  - phase: Precipitate
-    O: [0.3297509101153507, 0.7826199404802652, 0.20188018251173903, -0.4878675618954298]
-    v: 1.0
-  homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.1312565298463503, -0.6783546785504293, -0.5822736006738253, 0.4284438206110302]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.3891991356899201, 0.024147743013653567, 0.3536664846442759, -0.8502122893283336]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.35508306685640884, -0.3893349018602677, -0.8446679875041884, 0.09418248622184058]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.40195601820142496, -0.1636779350134876, -0.4207744499665131, 0.7966114205035945]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.044972436776441485, 0.7143848123638518, -0.24549539260737738, -0.6537307029678221]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Precipitate
+        O: [0.30372565221929093, -0.24301975423298977, -0.8125481043098195, -0.43411715632882125]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Precipitate
+        O: [0.4596497204333957, -0.39026498957046113, 0.7976125696376123, 0.015151276419962625]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.0827510723946788, 0.6317627669782209, 0.4175514636120652, -0.6478262433036925]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.2996310655335684, 0.10384972751072818, 0.8974007140905373, 0.3067709520358135]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.6358670871419496, 0.4180753134572028, -0.5146965710042285, -0.3949348295146467]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.6972058990579978, 0.2748121746094387, -0.4615030442772494, 0.4747600900749678]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.023323490584044985, -0.4124930466803271, 0.5037800801437966, 0.7586245000510248]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.5327908616905777, 0.17796155315964704, 0.602711877421405, -0.5667468359957407]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.5031041456929413, -0.4763268942553399, 0.6700266228868177, 0.2665768801275235]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Precipitate
+        O: [0.5641709021797874, 0.6941319122105223, -0.0813139963653807, -0.4396363446983193]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Aluminum
+        O: [0.40014270416551667, 0.38360239122229783, -0.040760057321212455, 0.8313083901169376]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Precipitate
+        O: [0.25941430307519847, -0.7938792882664125, -0.20362736335049575, -0.510877472508378]
+        v: 1.0
+    homogenization: SX
+  - constituents:
+      - phase: Precipitate
+        O: [0.3297509101153507, 0.7826199404802652, 0.20188018251173903, -0.4878675618954298]
+        v: 1.0
+    homogenization: SX
--- a/python/tests/test_Result.py
+++ b/python/tests/test_Result.py
@ -440,11 +440,16 @@ class TestResult:
    @pytest.mark.parametrize('fname',['2phase_irregularGrid_tensionX.hdf5'],ids=range(1))
    def test_export_DREAM3D(self,tmp_path,res_path,fname):
        result = Result(res_path/fname).view(increments=0)  #comparing the initial data only
+
+        prefix_inc = 'increment_'
+        N_digits = int(np.floor(np.log10(max(1,result.incs[-1]))))+1
+        inc = result.increments[0]
+
        result.export_DREAM3D(target_dir=tmp_path)

        ref_file = h5py.File(res_path/'2phase_irregularGrid.dream3d','r')
        job_file_no_ext = result.fname.stem
-        results_file = h5py.File(tmp_path/f'{job_file_no_ext}_increment_0.dream3d','r')
+        results_file = h5py.File(tmp_path/f'{job_file_no_ext}_inc{inc.split(prefix_inc)[-1].zfill(N_digits)}.dream3d','r')

        error_messages = []

@ -472,7 +477,7 @@ class TestResult:
            if not np.array_equal(ref_val,actual_val):
                error_messages.append("Cell Data attributes do not match")

-        # Common Attributes for groups in CellData
+        # Common Attributes for datasets in CellData
        for dataset in ['/Phases','/EulerAngles']:
            for attrs in ['DataArrayVersion','Tuple Axis Dimensions','ComponentDimensions','ObjectType','TupleDimensions']:
                ref_val = ref_file[cell_data_label + '/' + dataset].attrs[attrs]