diff --git a/python/damask/_result.py b/python/damask/_result.py index d02811366..a3a9a9de5 100644 --- a/python/damask/_result.py +++ b/python/damask/_result.py @@ -1957,6 +1957,10 @@ class Result: else: obj.attrs.create(name,data) + def create_and_open(obj,name): + obj.create_group(name) + return obj[name] + if self.N_constituents != 1 or not self.structured: raise TypeError('DREAM3D output requires structured grid with single constituent.') @@ -1994,32 +1998,30 @@ class Result: for g in ['DataContainerBundles','Pipeline']: # empty groups (needed) o.create_group(g) - data_container_label = 'DataContainers/SyntheticVolumeDataContainer' - cell_data_label = data_container_label + '/CellData' + data_container = create_and_open(o,'DataContainers/SyntheticVolumeDataContainer') + cell = create_and_open(data_container,'CellData') - o[cell_data_label + '/Phases'] = np.reshape(phase_ID_array,tuple(np.flip(self.cells))+(1,)) - o[cell_data_label + '/EulerAngles'] = cell_orientation.reshape(tuple(np.flip(self.cells))+(3,)) + cell['Phases'] = np.reshape(phase_ID_array,tuple(np.flip(self.cells))+(1,)) + cell['EulerAngles'] = cell_orientation.reshape(tuple(np.flip(self.cells))+(3,)) - o[cell_data_label].attrs['AttributeMatrixType'] = np.array([3],np.uint32) - o[cell_data_label].attrs['TupleDimensions'] = np.array(self.cells,np.uint64) + add_attribute(cell,'AttributeMatrixType',np.array([3],np.uint32)) + add_attribute(cell,'TupleDimensions', np.array(self.cells,np.uint64)) # Common Attributes for groups in CellData - for dataset in ['/Phases','/EulerAngles']: - add_attribute(o[cell_data_label + dataset],'DataArrayVersion',np.array([2],np.int32)) - add_attribute(o[cell_data_label + dataset],'Tuple Axis Dimensions','x={},y={},z={}'.format(*np.array(self.cells))) + for dataset in ['Phases','EulerAngles']: + add_attribute(cell[dataset],'DataArrayVersion',np.array([2],np.int32)) + add_attribute(cell[dataset],'Tuple Axis Dimensions','x={},y={},z={}'.format(*np.array(self.cells))) + add_attribute(cell[dataset],'TupleDimensions', np.array(self.cells,np.uint64)) # phase attributes - add_attribute(o[cell_data_label + '/Phases'], 'ComponentDimensions', np.array([1],np.uint64)) - add_attribute(o[cell_data_label + '/Phases'], 'ObjectType', 'DataArray') - add_attribute(o[cell_data_label + '/Phases'], 'TupleDimensions', np.array(self.cells,np.uint64)) + add_attribute(cell['Phases'], 'ComponentDimensions', np.array([1],np.uint64)) + add_attribute(cell['Phases'], 'ObjectType', 'DataArray') # Eulers attributes - add_attribute(o[cell_data_label + '/EulerAngles'], 'ComponentDimensions', np.array([3],np.uint64)) - add_attribute(o[cell_data_label + '/EulerAngles'], 'ObjectType', 'DataArray') - add_attribute(o[cell_data_label + '/EulerAngles'], 'TupleDimensions', np.array(self.cells,np.uint64)) + add_attribute(cell['EulerAngles'], 'ComponentDimensions', np.array([3],np.uint64)) + add_attribute(cell['EulerAngles'], 'ObjectType', 'DataArray') - # Create EnsembleAttributeMatrix - ensemble_label = data_container_label + '/CellEnsembleData' + cell_ensemble = create_and_open(data_container,'CellEnsembleData') # Map to DREAM.3D IDs crystal_structure = [999] @@ -2031,45 +2033,44 @@ class Result: elif lattice_dict[label] in ['tI']: crystal_structure.append(8) - o[ensemble_label + '/CrystalStructures'] = np.array(crystal_structure,np.uint32).reshape(-1,1) - o[ensemble_label + '/PhaseTypes'] = np.array([999] + [0]*len(self.phases),np.uint32).reshape(-1,1) - phase_name_list = ['Unknown Phase Type'] - phase_name_list.extend(i for i in self.visible['phases']) + cell_ensemble['CrystalStructures'] = np.array(crystal_structure,np.uint32).reshape(-1,1) + cell_ensemble['PhaseTypes'] = np.array([999] + [0]*len(self.phases),np.uint32).reshape(-1,1) + phase_name_list = ['Unknown Phase Type'] + [p for p in self.visible['phases']] tid = h5py.h5t.C_S1.copy() tid.set_size(h5py.h5t.VARIABLE) tid.set_cset(h5py.h5t.CSET_ASCII) - o[ensemble_label].create_dataset(name='PhaseName',data = phase_name_list, dtype=h5py.Datatype(tid)) + cell_ensemble.create_dataset(name='PhaseName',data = phase_name_list, dtype=h5py.Datatype(tid)) # Attributes Ensemble Matrix - o[ensemble_label].attrs['AttributeMatrixType'] = np.array([11],np.uint32) - o[ensemble_label].attrs['TupleDimensions'] = np.array([len(self.phases) + 1], np.uint64) + cell_ensemble.attrs['AttributeMatrixType'] = np.array([11],np.uint32) + cell_ensemble.attrs['TupleDimensions'] = np.array([len(self.phases) + 1], np.uint64) # Attributes for data in Ensemble matrix for group in ['CrystalStructures','PhaseTypes']: - add_attribute(o[ensemble_label+'/'+group], 'ComponentDimensions', np.array([1],np.uint64)) - add_attribute(o[ensemble_label+'/'+group], 'Tuple Axis Dimensions', f'x={len(self.phases)+1}') - add_attribute(o[ensemble_label+'/'+group], 'DataArrayVersion', np.array([2],np.int32)) - add_attribute(o[ensemble_label+'/'+group], 'ObjectType', 'DataArray') - add_attribute(o[ensemble_label+'/'+group], 'TupleDimensions', np.array([len(self.phases) + 1],np.uint64)) + add_attribute(cell_ensemble[group], 'ComponentDimensions', np.array([1],np.uint64)) + add_attribute(cell_ensemble[group], 'Tuple Axis Dimensions', f'x={len(self.phases)+1}') + add_attribute(cell_ensemble[group], 'DataArrayVersion', np.array([2],np.int32)) + add_attribute(cell_ensemble[group], 'ObjectType', 'DataArray') + add_attribute(cell_ensemble[group], 'TupleDimensions', np.array([len(self.phases) + 1],np.uint64)) - add_attribute(o[ensemble_label+'/PhaseName'], 'ComponentDimensions', np.array([1],np.uint64)) - add_attribute(o[ensemble_label+'/PhaseName'], 'Tuple Axis Dimensions', f'x={len(self.phases)+1}') - add_attribute(o[ensemble_label+'/PhaseName'], 'DataArrayVersion', np.array([2],np.int32)) - add_attribute(o[ensemble_label+'/PhaseName'], 'ObjectType', 'StringDataArray') - add_attribute(o[ensemble_label+'/PhaseName'], 'TupleDimensions', np.array([len(self.phases) + 1],np.uint64)) + add_attribute(cell_ensemble['PhaseName'], 'ComponentDimensions', np.array([1],np.uint64)) + add_attribute(cell_ensemble['PhaseName'], 'Tuple Axis Dimensions', f'x={len(self.phases)+1}') + add_attribute(cell_ensemble['PhaseName'], 'DataArrayVersion', np.array([2],np.int32)) + add_attribute(cell_ensemble['PhaseName'], 'ObjectType', 'StringDataArray') + add_attribute(cell_ensemble['PhaseName'], 'TupleDimensions', np.array([len(self.phases) + 1],np.uint64)) # Create geometry info - geom_label = data_container_label + '/_SIMPL_GEOMETRY' + geom = create_and_open(data_container,'_SIMPL_GEOMETRY') - o[geom_label + '/DIMENSIONS'] = np.int64(np.array(self.cells)) - o[geom_label + '/ORIGIN'] = np.float32(np.zeros(3)) - o[geom_label + '/SPACING'] = np.float32(dx) + geom['DIMENSIONS'] = np.int64(np.array(self.cells)) + geom['ORIGIN'] = np.float32(np.zeros(3)) + geom['SPACING'] = np.float32(dx) - add_attribute(o[geom_label], 'GeometryName', 'ImageGeometry') - add_attribute(o[geom_label], 'GeometryTypeName', 'ImageGeometry') - add_attribute(o[geom_label], 'GeometryType', np.array([0],np.uint32)) - add_attribute(o[geom_label], 'SpatialDimensionality', np.array([3],np.uint32)) - add_attribute(o[geom_label], 'UnitDimensionality', np.array([3],np.uint32)) + add_attribute(geom, 'GeometryName', 'ImageGeometry') + add_attribute(geom, 'GeometryTypeName', 'ImageGeometry') + add_attribute(geom, 'GeometryType', np.array([0],np.uint32)) + add_attribute(geom, 'SpatialDimensionality', np.array([3],np.uint32)) + add_attribute(geom, 'UnitDimensionality', np.array([3],np.uint32)) def export_DADF5(self,