#!/usr/bin/env python3 import argparse import os import h5py import numpy as np import damask class AttributeManagerNullterm(h5py.AttributeManager): """ Attribute management for DREAM.3D hdf5 files. String attribute values are stored as fixed-length string with NULLTERM References ---------- https://stackoverflow.com/questions/38267076 https://stackoverflow.com/questions/52750232 """ def create(self, name, data, shape=None, dtype=None): if isinstance(data,str): tid = h5py.h5t.C_S1.copy() tid.set_size(len(data + ' ')) super().create(name=name,data=data+' ',dtype = h5py.Datatype(tid)) else: super().create(name=name,data=data,shape=shape,dtype=dtype) h5py._hl.attrs.AttributeManager = AttributeManagerNullterm # 'Monkey patch' # -------------------------------------------------------------------- # Crystal structure specifications # -------------------------------------------------------------------- Crystal_structures = {'fcc': 1, 'bcc': 1, 'hcp': 0, 'bct': 7, 'ort': 6} #TODO: is bct Tetragonal low/Tetragonal high? Phase_types = {'Primary': 0} #further additions to these can be done by looking at 'Create Ensemble Info' filter # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = argparse.ArgumentParser(description='Creating a file for DREAM3D from DAMASK data') parser.add_argument('filenames', nargs='+', help='DADF5 files') parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string', help='name of subdirectory relative to the location of the DADF5 file to hold output') parser.add_argument('--inc',nargs='+', help='Increment for which DREAM3D to be used, eg. 25',type=int) options = parser.parse_args() for filename in options.filenames: f = damask.Result(filename) f.pick('increments',options.inc) for increment in damask.util.show_progress(f.iter_selection('increments'),len(f.selection['increments'])): #-------output file creation------------------------------------- dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir)) try: os.mkdir(dirname) except FileExistsError: pass o = h5py.File(dirname + '/' + os.path.splitext(filename)[0] + '_{}.dream3D'.format(increment),'w') #----------------------------------------------------------------- o.attrs['DADF5toDREAM3D'] = '1.0' o.attrs['FileVersion'] = '7.0' #----------------------------------------------------------------- for g in ['DataContainerBundles','Pipeline']: # empty groups (needed) o.create_group(g) data_container_label = 'DataContainers/ImageDataContainer' cell_data_label = data_container_label + '/CellData' # Phase information of DREAM.3D is constituent ID in DAMASK o[cell_data_label + '/Phases'] = f.get_constituent_ID().reshape(tuple(f.grid)+(1,)) DAMASK_quaternion = f.read_dataset(f.get_dataset_location('orientation')) # Convert: DAMASK uses P = -1, DREAM.3D uses P = +1. Also change position of imagninary part DREAM_3D_quaternion = np.hstack((-DAMASK_quaternion['x'],-DAMASK_quaternion['y'],-DAMASK_quaternion['z'], DAMASK_quaternion['w'])).astype(np.float32) o[cell_data_label + '/Quats'] = DREAM_3D_quaternion.reshape(tuple(f.grid)+(4,)) # Attributes to CellData group o[cell_data_label].attrs['AttributeMatrixType'] = np.array([3],np.uint32) o[cell_data_label].attrs['TupleDimensions'] = f.grid.astype(np.uint64) # Common Attributes for groups in CellData for group in ['/Phases','/Quats']: o[cell_data_label + group].attrs['DataArrayVersion'] = np.array([2],np.int32) o[cell_data_label + group].attrs['Tuple Axis Dimensions'] = 'x={},y={},z={}'.format(*f.grid) o[cell_data_label + '/Phases'].attrs['ComponentDimensions'] = np.array([1],np.uint64) o[cell_data_label + '/Phases'].attrs['ObjectType'] = 'DataArray' o[cell_data_label + '/Phases'].attrs['TupleDimensions'] = f.grid.astype(np.uint64) o[cell_data_label + '/Quats'].attrs['ComponentDimensions'] = np.array([4],np.uint64) o[cell_data_label + '/Quats'].attrs['ObjectType'] = 'DataArray' o[cell_data_label + '/Quats'].attrs['TupleDimensions'] = f.grid.astype(np.uint64) # Create EnsembleAttributeMatrix ensemble_label = data_container_label + '/EnsembleAttributeMatrix' # Data CrystalStructures o[ensemble_label + '/CrystalStructures'] = np.uint32(np.array([999,\ Crystal_structures[f.get_crystal_structure()]])).reshape(2,1) o[ensemble_label + '/PhaseTypes'] = np.uint32(np.array([999,Phase_types['Primary']])).reshape(2,1) # ToDo # Attributes Ensemble Matrix o[ensemble_label].attrs['AttributeMatrixType'] = np.array([11],np.uint32) o[ensemble_label].attrs['TupleDimensions'] = np.array([2], np.uint64) # Attributes for data in Ensemble matrix for group in ['CrystalStructures','PhaseTypes']: # 'PhaseName' not required MD: But would be nice to take the phase name mapping o[ensemble_label+'/'+group].attrs['ComponentDimensions'] = np.array([1],np.uint64) o[ensemble_label+'/'+group].attrs['Tuple Axis Dimensions'] = 'x=2' o[ensemble_label+'/'+group].attrs['DataArrayVersion'] = np.array([2],np.int32) o[ensemble_label+'/'+group].attrs['ObjectType'] = 'DataArray' o[ensemble_label+'/'+group].attrs['TupleDimensions'] = np.array([2],np.uint64) geom_label = data_container_label + '/_SIMPL_GEOMETRY' o[geom_label + '/DIMENSIONS'] = np.int64(f.grid) o[geom_label + '/ORIGIN'] = np.float32(np.zeros(3)) o[geom_label + '/SPACING'] = np.float32(f.size) o[geom_label].attrs['GeometryName'] = 'ImageGeometry' o[geom_label].attrs['GeometryTypeName'] = 'ImageGeometry' o[geom_label].attrs['GeometryType'] = np.array([0],np.uint32) o[geom_label].attrs['SpatialDimensionality'] = np.array([3],np.uint32) o[geom_label].attrs['UnitDimensionality'] = np.array([3],np.uint32)