Fixing error mentioned by sandor.

FAIRmat-NFDI · Dec 1, 2023 · e67380c · e67380c
1 parent 7581787
commit e67380c
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Showing 5 changed files with 10 additions and 5 deletions.
diff --git a/pynxtools/dataconverter/helpers.py b/pynxtools/dataconverter/helpers.py
@@ -652,7 +652,7 @@ def extract_atom_types(formula, mode='hill'):
 
     return atom_types
 
-
+# pylint: disable=too-many-branches
 def transform_to_intended_dt(str_value: Any) -> Optional[Any]:
     """Transform string to the intended data type, if not then return str_value.
 
@@ -702,7 +702,11 @@ def transform_to_intended_dt(str_value: Any) -> Optional[Any]:
                 parts = str_value.split(sym)
                 modified_parts = []
                 for part in parts:
-                    modified_parts.append(transform_to_intended_dt(part))
+                    part = transform_to_intended_dt(part)
+                    if (isinstance(part, int) or isinstance(part, float)):
+                        modified_parts.append(part)
+                    else:
+                        return str_value
                 return transform_to_intended_dt(modified_parts)
 
     return str_value

diff --git a/pynxtools/dataconverter/readers/xrd/config.py b/pynxtools/dataconverter/readers/xrd/config.py
@@ -85,7 +85,7 @@
                                                                                                       "@units": ""}
                                                                                         },
     "/ENTRY[entry]/INSTRUMENT[instrument]/SOURCE[source]/xray_tube_current": {"xrdml_1.5": {"value": "/xrdMeasurements/xrdMeasurement/incidentBeamPath/xRayTube/current",
-                                                                                            "@units": ""}
+                                                                                            "@units": "/xrdMeasurements/xrdMeasurement/incidentBeamPath/xRayTube/current/unit"}
                                                                               },
     "/ENTRY[entry]/INSTRUMENT[instrument]/SOURCE[source]/source_peak_wavelength": {"xrdml_1.5": {"value": "",
                                                                                                  "@units": ""}

diff --git a/pynxtools/dataconverter/readers/xrd/xrd_helper.py b/pynxtools/dataconverter/readers/xrd/xrd_helper.py
@@ -42,7 +42,7 @@ def check_unit(unit: str):
     """
     if unit is None:
         return unit
-    unit_map = {'Angstrom': 'angstrom',
+    unit_map = {'Angstrom': '\u212B',
                 }
     correct_unit = unit_map.get(unit, None)
     if correct_unit is None:

diff --git a/pynxtools/definitions b/pynxtools/definitions
diff --git a/tests/dataconverter/test_helpers.py b/tests/dataconverter/test_helpers.py
@@ -87,6 +87,7 @@ def listify_template(data_dict: Template):
     ('test', 'test'),
     (['59', '3.00005', '498E-36'], np.array([59.0, 3.00005, 4.98e-34])),
     ('23 34 444 5000', np.array([23., 34., 444., 5000.])),
+    ('xrd experiment','xrd experiment'),
     (None, None),
 ])
 def test_transform_to_intended_dt(input_data, expected_output):