possibility to export into new DADF5 file

python/damask/_result.py

@@ -1814,6 +1814,47 @@ class Result:
         return None if (type(r) == dict and r == {}) else r
 
 
+    def export_DADF5(self,
+                     fname,
+                     output: Union[str, List[str]] = '*'):
+        """
+        Export visible components into a new DADF5 file.
+
+        Parameters
+        ----------
+        fname : str or pathlib.Path
+            Name of the DADF5 file to be created.
+        output : (list of) str
+            Names of the datasets to write.
+            Defaults to '*', in which case all datasets are write.
+
+        """
+        if Path(fname).expanduser().absolute() == self.fname:
+            raise PermissionError(f'cannot overwrite {self.fname}')
+        with h5py.File(self.fname,'r') as f_in, h5py.File(fname,'w') as f_out:
+            for k,v in f_in.attrs.items():
+                f_out.attrs.create(k,v)
+            for g in ['setup','geometry','cell_to']:
+                f_in.copy(g,f_out)
+
+            for inc in util.show_progress(self.visible['increments']):
+                f_in.copy(inc,f_out,shallow=True)
+                for out in _match(output,f_in['/'.join([inc,'geometry'])].keys()):
+                    f_in[inc]['geometry'].copy(out,f_out[inc]['geometry'])
+
+                for label in self.homogenizations:
+                    f_in[inc]['homogenization'].copy(label,f_out[inc]['homogenization'],shallow=True)
+                for label in self.phases:
+                    f_in[inc]['phase'].copy(label,f_out[inc]['phase'],shallow=True)
+
+                for ty in ['phase','homogenization']:
+                    for label in self.visible[ty+'s']:
+                        for field in _match(self.visible['fields'],f_in['/'.join([inc,ty,label])].keys()):
+                            p = '/'.join([inc,ty,label,field])
+                            for out in _match(output,f_in[p].keys()):
+                               f_in[p].copy(out,f_out[p])
+
+
     def place(self,
               output: Union[str, List[str]] = '*',
               flatten: bool = True,

python/tests/test_Result.py

@@ -6,6 +6,7 @@ import os
 import sys
 import hashlib
 import fnmatch
+import random
 from datetime import datetime
 
 import pytest
@@ -562,3 +563,21 @@ class TestResult:
             os.chdir(cwd)
             r.export_setup('material.yaml',target_dir=t)
             assert 'material.yaml' in os.listdir(absdir); (absdir/'material.yaml').unlink()
+
+    @pytest.mark.parametrize('fname',['4grains2x4x3_compressionY.hdf5',
+                                      '6grains6x7x8_single_phase_tensionY.hdf5'])
+    def test_export_DADF5(self,ref_path,tmp_path,fname):
+        r = Result(ref_path/fname)
+        r = r.view(phases = random.sample(r.phases,1))
+        r = r.view(increments = random.sample(r.increments,np.random.randint(2,len(r.increments))))
+        r.export_DADF5(tmp_path/fname)
+        r_exp = Result(tmp_path/fname)
+        assert str(r.get()) == str(r_exp.get())
+        assert str(r.place()) == str(r_exp.place())
+
+    @pytest.mark.parametrize('fname',['4grains2x4x3_compressionY.hdf5',
+                                      '6grains6x7x8_single_phase_tensionY.hdf5'])
+    def test_export_DADF5_name_clash(self,ref_path,tmp_path,fname):
+        r = Result(ref_path/fname)
+        with pytest.raises(PermissionError):
+            r.export_DADF5(r.fname)