non-vectorized formulas can be implemented in a user function

python/tests/test_Geom.py

@@ -26,7 +26,7 @@ def default():
 @pytest.fixture
 def reference_dir(reference_dir_base):
     """Directory containing reference results."""
-    return os.path.join(reference_dir_base,'Geom')
+    return reference_dir_base/'Geom'
 
 
 class TestGeom:
@@ -87,7 +87,7 @@ class TestGeom:
         modified = copy.deepcopy(default)
         modified.mirror(directions,reflect)
         tag = f'directions={"-".join(directions)}_reflect={reflect}'
-        reference = os.path.join(reference_dir,f'mirror_{tag}.geom')
+        reference = reference_dir/f'mirror_{tag}.geom'
         if update: modified.to_file(reference)
         assert geom_equal(modified,Geom.from_file(reference))
 
@@ -96,7 +96,7 @@ class TestGeom:
         modified = copy.deepcopy(default)
         modified.clean(stencil)
         tag = f'stencil={stencil}'
-        reference = os.path.join(reference_dir,f'clean_{tag}.geom')
+        reference = reference_dir/f'clean_{tag}.geom'
         if update: modified.to_file(reference)
         assert geom_equal(modified,Geom.from_file(reference))
 
@@ -113,7 +113,7 @@ class TestGeom:
         modified = copy.deepcopy(default)
         modified.scale(grid)
         tag = f'grid={util.srepr(grid,"-")}'
-        reference = os.path.join(reference_dir,f'scale_{tag}.geom')
+        reference = reference_dir/f'scale_{tag}.geom'
         if update: modified.to_file(reference)
         assert geom_equal(modified,Geom.from_file(reference))
 
@@ -152,7 +152,7 @@ class TestGeom:
         modified = copy.deepcopy(default)
         modified.rotate(Rotation.from_Eulers(Eulers,degrees=True))
         tag = f'Eulers={util.srepr(Eulers,"-")}'
-        reference = os.path.join(reference_dir,f'rotate_{tag}.geom')
+        reference = reference_dir/f'rotate_{tag}.geom'
         if update: modified.to_file(reference)
         assert geom_equal(modified,Geom.from_file(reference))
 

python/tests/test_Orientation.py

@@ -33,7 +33,7 @@ def inverse_pole(orientation,axis,proper=False,SST=True):
 @pytest.fixture
 def reference_dir(reference_dir_base):
     """Directory containing reference results."""
-    return os.path.join(reference_dir_base,'Rotation')
+    return reference_dir_base/'Rotation'
 
 
 class TestOrientation:

python/tests/test_Result.py

@@ -1,6 +1,7 @@
 import time
 import shutil
 import os
+import sys
 from datetime import datetime
 
 import pytest
@@ -100,14 +101,16 @@ class TestResult:
         assert np.allclose(in_memory,in_file)
 
     @pytest.mark.parametrize('mode',['direct','function'])
-    def test_add_calculation(self,default,mode):
+    def test_add_calculation(self,default,tmp_path,mode):
-        def my_func(field):
-            return 2.0*np.abs(field)-1.0
 
         if mode == 'direct':
             default.add_calculation('x','2.0*np.abs(#F#)-1.0','-','my notes')
         else:
-            default.enable_user_function(my_func)
+            with open(tmp_path/'f.py','w') as f:
+                f.write("import numpy as np\ndef my_func(field):\n  return 2.0*np.abs(field)-1.0\n")
+            sys.path.insert(0,str(tmp_path))
+            import f
+            default.enable_user_function(f.my_func)
             default.add_calculation('x','my_func(#F#)','-','my notes')
 
         loc = {'F':    default.get_dataset_location('F'),

python/tests/test_Rotation.py

@@ -6,7 +6,7 @@ import numpy as np
 from damask import Rotation
 from damask import _rotation
 
-n = 1100
+n = 1000
 atol=1.e-4
 
 @pytest.fixture

python/tests/test_Table.py

@@ -15,7 +15,7 @@ def default():
 @pytest.fixture
 def reference_dir(reference_dir_base):
     """Directory containing reference results."""
-    return os.path.join(reference_dir_base,'Table')
+    return reference_dir_base/'Table'
 
 class TestTable:
 
@@ -35,9 +35,13 @@ class TestTable:
         d = default.get('5_F')
         assert np.allclose(d,1.0) and d.shape[1:] == (1,)
 
-    def test_write_read_str(self,default,tmpdir):
+    @pytest.mark.parametrize('mode',['str','path'])
-        default.to_ASCII(str(tmpdir.join('default.txt')))
+    def test_write_read(self,default,tmpdir,mode):
-        new = Table.from_ASCII(str(tmpdir.join('default.txt')))
+        default.to_ASCII(tmpdir/'default.txt')
+        if   mode == 'path':
+            new = Table.from_ASCII(tmpdir/'default.txt')
+        elif mode == 'str':
+            new = Table.from_ASCII(str(tmpdir/'default.txt'))
         assert all(default.data==new.data) and default.shapes == new.shapes
 
     def test_write_read_file(self,default,tmpdir):
@@ -54,20 +58,25 @@ class TestTable:
             new = Table.from_ASCII(f)
         assert all(default.data==new.data) and default.shapes == new.shapes
 
-    def test_read_ang_str(self,reference_dir):
+
-        new = Table.from_ang(os.path.join(reference_dir,'simple.ang'))
+    @pytest.mark.parametrize('mode',['str','path'])
+    def test_read_ang(self,reference_dir,mode):
+        if   mode == 'path':
+            new = Table.from_ang(reference_dir/'simple.ang')
+        elif mode == 'str':
+            new = Table.from_ang(str(reference_dir/'simple.ang'))
         assert new.data.shape == (4,10) and \
                new.labels == ['eu', 'pos', 'IQ', 'CI', 'ID', 'intensity', 'fit']
 
     def test_read_ang_file(self,reference_dir):
-        f = open(os.path.join(reference_dir,'simple.ang'))
+        f = open(reference_dir/'simple.ang')
         new = Table.from_ang(f)
         assert new.data.shape == (4,10) and \
                new.labels == ['eu', 'pos', 'IQ', 'CI', 'ID', 'intensity', 'fit']
 
     @pytest.mark.parametrize('fname',['datatype-mix.txt','whitespace-mix.txt'])
     def test_read_strange(self,reference_dir,fname):
-        with open(os.path.join(reference_dir,fname)) as f:
+        with open(reference_dir/fname) as f:
             Table.from_ASCII(f)
 
     def test_set(self,default):