Added check that no new keys can be introduced

python/solid_dmft/CMakeLists.txt

@@ -1,8 +1,8 @@
 # Configure the version
 configure_file(version.py.in version.py)
 
-# All Python files. Copy them in the build dir to have a complete package for the tests.
-file(GLOB_RECURSE python_sources RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.py)
+# All Python and toml files. Copy them in the build dir to have a complete package for the tests.
+file(GLOB_RECURSE python_sources RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.py *.toml)
 foreach(file ${python_sources})
   configure_file(${file} ${file} COPYONLY)
 endforeach()

python/solid_dmft/io_tools/default.toml

@@ -12,6 +12,7 @@ csc = false
 dc = true
 dc_dmft = "<none>"
 dc_type = "<none>"
+dft_mu = "<none>"
 diag_delta = false
 enforce_off_diag = false
 fixed_mu_value = "<none>"

python/solid_dmft/io_tools/postproc_toml_dict.py

@@ -27,7 +27,7 @@ def _verify_dict_is_full_config(d: Dict[str, Any]) -> None:
         else:
             _verify_dict_is_param_dict(section)
 
-def _verify_restrictions_on_default_and_config(cfg_def: Dict[str, Any], cfg_inp: Dict[str, Any], match_key: Dict[str, str]) -> None:
+def _verify_restrictions_on_default_and_config(cfg_inp: Dict[str, Any], cfg_def: Dict[str, Any], match_key: Dict[str, str]) -> None:
     """ Checks that the restrictions described in the docstring of merge_config_with_default are met. """
     # Checks that type of cfg_def dict is FullConfig
     _verify_dict_is_full_config(cfg_def)
@@ -74,10 +74,19 @@ def _apply_default_values(cfg_inp: FullConfig, cfg_def: FullConfig, match_key: D
                 else:
                     raise ValueError(f'No matching section with same "{section_name}.{key}"="{entry[key]}" found in defaults.')
                 # Updates config values in output
+                unknown_keys = set(entry.keys()) - set(output[section_name][-1].keys())
+                if unknown_keys:
+                    raise ValueError(f'Unknown keys {unknown_keys} found in section "{section_name}". '
+                                     'All valid keys have to be in the default config.')
                 output[section_name][-1].update(entry)
         else:
+            entry = cfg_inp.get(section_name, {})
             output[section_name] = copy.deepcopy(section)
-            output[section_name].update(cfg_inp.get(section_name, {}))
+            unknown_keys = set(entry.keys()) - set(output[section_name].keys())
+            if unknown_keys:
+                raise ValueError(f'Unknown keys {unknown_keys} found in section "{section_name}". '
+                                 'All valid keys have to be in the default config.')
+            output[section_name].update(entry)
 
     return output
 
@@ -124,7 +133,7 @@ def merge_config_with_default(cfg_inp: Dict[str, Any], cfg_def: Dict[str, Any],
     """
 
     # Check restrictions and makes sure that config and default are of type FullConfig
-    _verify_restrictions_on_default_and_config(cfg_def, cfg_inp, match_key)
+    _verify_restrictions_on_default_and_config(cfg_inp, cfg_def, match_key)
 
     # Checks that keys not listed in match_key are dicts
     # The others can be lists or dicts. This differs from cfg_def

test/python/test_postproc_toml_dict.py

@@ -1,10 +1,10 @@
 import pytest
-from solid_dmft.io_tools.postproc_toml_dict import _apply_default_values, _verify_restrictions_on_default_and_config, _resolve_references
+from solid_dmft.io_tools.postproc_toml_dict import merge_config_with_default, _apply_default_values, _verify_restrictions_on_default_and_config, _resolve_references
 
-def test_verify_restrictions_invalid_key():
+def test_verify_restrictions_invalid_section():
     config = {
         'section1': {'key1': 'newval11', 'key2': 'newval12'},
-        'section4': {'key1': 'newval31'},
+        'section4': {'key1': 'newval41'},
     }
     default = {
         'section1': {'key1': 'defval11', 'key2': 'defval12', 'key3': 'defval13'},
@@ -17,7 +17,7 @@ def test_verify_restrictions_invalid_key():
 def test_verify_restrictions_key_outside_section_default():
     config = {
         'section1': {'key1': 'newval11', 'key2': 'newval12'},
-        'section4': {'key1': 'newval31'},
+        'section2': {'key1': 'newval31'},
     }
     default = {
         'section1': {'key1': 'defval11', 'key2': 'defval12', 'key3': 'defval13'},
@@ -52,7 +52,7 @@ def test_verify_restriction_missing_listed_section():
     with pytest.raises(ValueError):
         _verify_restrictions_on_default_and_config(default, config, {'section1': 'match'})
 
-def test_verify_restrictions_nonexistent_listed_section():
+def test_merge_config_nonexistent_listed_section():
     config = {
         'section1': {'key1': 'newval11', 'key2': 'newval12'},
         'section2': [{'key1': 'newval31'}],
@@ -63,7 +63,7 @@ def test_verify_restrictions_nonexistent_listed_section():
         'section3': {'key1': 'defval31', 'key2': 'defval32', 'key3': 'defval33'},
     }
     with pytest.raises(ValueError):
-        _verify_restrictions_on_default_and_config(config, default, {})
+        merge_config_with_default(config, default, {})
 
 def test_resolve_references_simple():
     config = {
@@ -137,3 +137,29 @@ def test_apply_default_values_partial_listed_config():
         'section3': {'key1': 'newval31', 'key2': 'defval32', 'key3': 'defval33'},
     }
     assert _apply_default_values(config, default, {'section2': 'match'}) == expected_output
+
+def test_apply_default_values_invalid_key():
+    config = {
+        'section1': {'key1': 'newval11', 'key2': 'newval12'},
+        'section2': {'key4': 'newval24'},
+    }
+    default = {
+        'section1': {'key1': 'defval11', 'key2': 'defval12', 'key3': 'defval13'},
+        'section2': {'key1': 'defval21', 'key2': 'defval22', 'key3': 'defval23'},
+        'section3': {'key1': 'defval31', 'key2': 'defval32', 'key3': 'defval33'},
+    }
+    with pytest.raises(ValueError):
+        _apply_default_values(config, default, {})
+
+def test_apply_default_values_invalid_listed_key():
+    config = {
+        'section1': {'key1': 'newval11', 'key2': 'newval12'},
+        'section2': [{'match': 'matchval', 'key4': 'newval24'}],
+    }
+    default = {
+        'section1': {'key1': 'defval11', 'key2': 'defval12', 'key3': 'defval13'},
+        'section2': [{'match': 'matchval', 'key2': 'defval22', 'key3': 'defval23'}],
+        'section3': {'key1': 'defval31', 'key2': 'defval32', 'key3': 'defval33'},
+    }
+    with pytest.raises(ValueError):
+        _apply_default_values(config, default, {'section2': 'match'})