test for export_DREAM3D

python/tests/test_Result.py

@@ -1,4 +1,5 @@
 import bz2
+from ftplib import error_temp
 import pickle
 import time
 import shutil
@@ -8,6 +9,7 @@ import hashlib
 import fnmatch
 import random
 from datetime import datetime
+from pathlib import Path
 
 import pytest
 import vtk
@@ -432,6 +434,82 @@ class TestResult:
         single_phase.export_VTK(mode='point',target_dir=export_dir,parallel=False)
         assert set(os.listdir(export_dir)) == set([f'{single_phase.fname.stem}_inc{i:02}.vtp' for i in range(0,40+1,4)])
 
+    @pytest.mark.parametrize('fname',['2phase_irregularGrid_tensionX.hdf5'],ids=range(1))
+    def test_export_DREAM3D(self,tmp_path,ref_path,fname):
+        result = Result(ref_path/fname).view(increments=0)  #comparing the initial data only
+        result.export_VTK(target_dir=tmp_path)
+
+        ref_file = h5py.File(ref_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')
+
+        error_messages = []
+
+        data_container_label = 'DataContainers/SyntheticVolumeDataContainer'        
+        cell_data_label      = data_container_label + '/CellData'
+        ensemble_label = data_container_label + '/CellEnsembleData'
+        geom_label = data_container_label + '/_SIMPL_GEOMETRY'
+
+        # check phase array
+        results_phase = np.array(results_file[cell_data_label + '/Phases'])
+        ref_phase = np.array(ref_file[cell_data_label + '/Phases'])
+        if not np.array_equal(results_phase,ref_phase):
+            error_messages.append('Phase array does not match')
+
+        # check euler angles
+        results_eulers = np.array(results_file[cell_data_label + '/EulersAngles'])
+        ref_eulers = np.array(ref_file[cell_data_label + '/EulerAngles'])
+        if not np.allclose(results_eulers,ref_eulers,atol=1E-06):
+            error_messages.append('Euler angles array does not match')
+
+        # check CellData group attributes 
+        for attrs in ['AttributeMatrixType','TupleDimensions']:
+            ref_val = ref_file[cell_data_label].attrs[attrs]
+            actual_val = results_file[cell_data_label].attrs[attrs]
+            if ref_val != actual_val:
+                error_messages.append("Cell Data attributes do not match")
+
+        # Common Attributes for groups 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]   
+                actual_val = results_file[cell_data_label + '/' + dataset].attrs[attrs]   
+                if ref_val != actual_val:
+                    error_messages.append("Common attributes in datasets of CellData do not match")
+
+        # TODO: check for the array of CrystalStructures too. However, currently crystal structure is set to cubic by default.
+        # TODO: check for the array of PhaseTypes too. However, currently phase is assumed Primary by default.
+        # check attributes ensemble matrix
+        for attrs in ['AttributeMatrixType','TupleDimensions']:
+            ref_val = ref_file[ensemble_label].attrs[attrs]   
+            actual_val = results_file[ensemble_label].attrs[attrs]   
+            if ref_val != actual_val:
+                error_messages.append("Attributes of CellEnsembleData do not match")
+
+        # check attributes of the data in ensemble matrix
+        # in the reference file the dataset PhaseTypes is in another group, so the path is different
+        for dataset in ['CrystalStructures','PhaseTypes']:
+            for attrs in ['DataArrayVersion','Tuple Axis Dimensions','ComponentDimensions','ObjectType','TupleDimensions']:
+                ref_value = ref_file['DataContainers/StatsGeneratorDataContainer/CellEnsembleData/' + dataset].attrs[attrs]
+                actual_val = results_file[ensemble_label + '/' + dataset].attrs[attrs]
+                if ref_val != actual_val:
+                    error_messages.append("Attributes of datasets within CellEnsembleData do not match")
+
+        # check geometry data
+        for dataset in ['DIMENSIONS','ORIGIN','SPACING']:
+            results_val = np.array(results_file[geom_label + '/' + dataset]) 
+            ref_val = np.array(ref_file[geom_label + '/' + dataset])
+            if not np.array_equal(results_val,ref_val):
+                error_messages.append(f'The {dataset} values are incorrect')
+
+        for attrs in ['GeometryName','GeometryTypeName','GeometryType','SpatialDimensionality','UnitDimensionality']:
+            ref_value = ref_file[geom_label].attrs[attrs]
+            actual_val = results_file[geom_label].attrs[attrs]
+            if ref_val != actual_val:
+                error_messages.append("Geometry attributes do not match")
+        
+        assert not error_messages
+
     def test_XDMF_datatypes(self,tmp_path,single_phase,update,ref_path):
         for what,shape in {'scalar':(),'vector':(3,),'tensor':(3,3),'matrix':(12,)}.items():
             for dtype in ['f4','f8','i1','i2','i4','i8','u1','u2','u4','u8']: