flexibility for non-standard ANG headers.

python/damask/_table.py

@@ -299,11 +299,18 @@ class Table:
 
 
     @staticmethod
-    def load_ang(fname: FileHandle) -> 'Table':
+    def load_ang(fname: FileHandle,
+                 shapes = {'eu':3,
+                           'pos':2,
+                           'IQ':1,
+                           'CI':1,
+                           'ID':1,
+                           'intensity':1,
+                           'fit':1}) -> 'Table':
         """
-        Load from ang file.
+        Load from ANG file.
 
-        A valid TSL ang file has to have the following columns:
+        Regular ANG files feature the following columns:
 
         - Euler angles (Bunge notation) in radians, 3 floats, label 'eu'.
         - Spatial position in meters, 2 floats, label 'pos'.
@@ -316,7 +323,10 @@ class Table:
         Parameters
         ----------
         fname : file, str, or pathlib.Path
-            Filename or file for reading.
+            Filename or file to read.
+        shapes : dict with str:int pairs, optional
+            Column labels and their width.
+            Defaults to standard TSL ANG format.
 
         Returns
         -------
@@ -338,7 +348,6 @@ class Table:
 
         data = np.loadtxt(content)
 
-        shapes = {'eu':3, 'pos':2, 'IQ':1, 'CI':1, 'ID':1, 'intensity':1, 'fit':1}
         if (remainder := data.shape[1]-sum(shapes.values())) > 0:
             shapes['unknown'] = remainder
 

python/tests/test_Table.py

@@ -81,13 +81,15 @@ class TestTable:
         assert default[N:].get('F').shape == (len(default)-N,3,3)
         assert default[:N,['v','s']].data.equals(default['v','s'][:N].data)
 
-    @pytest.mark.parametrize('mode',['str','path'])
+    @pytest.mark.parametrize('mode',['str','path','file'])
-    def test_write_read(self,default,tmp_path,mode):
+    def test_write_read_mode(self,default,tmp_path,mode):
-        default.save(tmp_path/'default.txt')
+        path = tmp_path/'default.txt'
-        if   mode == 'path':
+        if mode == 'file':
-            new = Table.load(tmp_path/'default.txt')
+            default.save(open(path,'w'))
-        elif mode == 'str':
+            new = Table.load(open(path))
-            new = Table.load(str(tmp_path/'default.txt'))
+        else:
+            default.save(str(path) if mode == 'str' else path)
+            new = Table.load(str(path) if mode == 'str' else path)
         assert all(default.data == new.data) and default.shapes == new.shapes
 
     def test_write_read_file(self,default,tmp_path):
@@ -101,20 +103,19 @@ class TestTable:
         with pytest.raises(TypeError):
             default.save(tmp_path/'shouldnotbethere.txt',format='invalid')
 
-    @pytest.mark.parametrize('mode',['str','path'])
+    @pytest.mark.parametrize('mode',['str','path','file'])
-    def test_read_ang(self,ref_path,mode):
+    def test_read_ang_mode(self,ref_path,mode):
-        if   mode == 'path':
+        where = ref_path/'simple.ang'
-            new = Table.load_ang(ref_path/'simple.ang')
+        fname = {'path': where,
-        elif mode == 'str':
+                 'str':  str(where),
-            new = Table.load_ang(str(ref_path/'simple.ang'))
+                 'file': open(where)}[mode]
+        new = Table.load_ang(fname)
         assert new.data.shape == (4,10) and \
                new.labels == ['eu', 'pos', 'IQ', 'CI', 'ID', 'intensity', 'fit']
 
-    def test_read_ang_file(self,ref_path):
+    def test_read_ang_shapes(self,ref_path):
-        f = open(ref_path/'simple.ang')
+        new = Table.load_ang(str(ref_path/'simple.ang'),shapes={})
-        new = Table.load_ang(f)
+        assert new.data.shape == (4,10) and new.labels == ['unknown']
-        assert new.data.shape == (4,10) and \
-               new.labels == ['eu', 'pos', 'IQ', 'CI', 'ID', 'intensity', 'fit']
 
     def test_save_ang(self,ref_path,tmp_path):
         orig = Table.load_ang(ref_path/'simple.ang')