Merge pull request #518 from avcopan/dev

Moves MechDriver-specific dict functions to point of use

automol/tests/test_dict.py

@@ -58,22 +58,10 @@
 }
 
 
-def test__update():
-    """ test automol.dict_.right_update
-        test automol.dict_.merge_sequence
+def test__merge_sequence():
+    """ test automol.dict_.merge_sequence
     """
 
-    # Combine dct functions
-    ref_dct1 = {
-        'ich': 'InChI=1S/N2/c1-2',
-        'charge': 0,
-        'mult': 1
-    }
-
-    dct1 = dict_.right_update(DCT1, DCT2)
-
-    assert dct1 == ref_dct1
-
     ref_dct2 = {
         'ich': 'InChI=1S/N2/c1-2',
         'charge': 0,
@@ -116,73 +104,6 @@ def test__read():
     assert val4 == 'fill'
 
 
-def test__separate_and_merge():
-    """ test_separate_subdct
-    """
-
-    # Separate dictionaries
-    ref_subdct1 = {
-        'key1': {
-            'subkey1': 'subval1-1',
-            'subkey2': 'subval1-2'
-        },
-        'key2': {
-            'subkey1': 'subval2-1',
-            'subkey2': 'subval2-2'
-        }
-    }
-    ref_subdct2 = {
-        'subkey1': 'subvalg1',
-        'subkey3': 'subvalg3'
-    }
-
-    subdct1, subdct2 = dict_.separate_subdct(GDCT3, key='global')
-    assert ref_subdct1 == subdct1
-    assert ref_subdct2 == subdct2
-
-    subdct1, subdct2 = dict_.separate_subdct(GDCT3, key='key3')
-    assert GDCT3 == subdct1
-    assert not subdct2
-
-    # Merge subdictionaries
-    ref_mergedct1 = {
-        'key1': {
-            'subkey1': 'subval1-1',
-            'subkey3': 'subvalg3',
-            'subkey2': 'subval1-2'
-        },
-        'key2': {
-            'subkey1': 'subval2-1',
-            'subkey3': 'subvalg3',
-            'subkey2': 'subval2-2'
-        },
-        'global': {
-            'subkey1': 'subvalg1',
-            'subkey3': 'subvalg3'
-        }
-    }
-    ref_mergedct2 = {
-        'key1': {
-            'subkey1': 'subval1-1',
-            'subkey3': 'subvalg3',
-            'subkey2': 'subval1-2',
-        },
-        'key2': {
-            'subkey1': 'subval2-1',
-            'subkey3': 'subvalg3',
-            'subkey2': 'subval2-2',
-        }
-    }
-
-    mergedct1 = dict_.merge_subdct(GDCT3, key='global', keep_subdct=True)
-    mergedct2 = dict_.merge_subdct(GDCT3, key='global', keep_subdct=False)
-    mergedct3 = dict_.merge_subdct(GDCT4, key='global', keep_subdct=False)
-
-    assert ref_mergedct1 == mergedct1
-    assert ref_mergedct2 == mergedct2
-    assert GDCT4 == mergedct3
-
-
 def test__sort():
     """ test dict_.keys_sorted_by_value
     """

automol/util/dict_/__init__.py

@@ -4,15 +4,12 @@
 from automol.util.dict_._dict_ import invert
 from automol.util.dict_._dict_ import empty_if_none
 from automol.util.dict_._dict_ import compose
-from automol.util.dict_._dict_ import right_update
 from automol.util.dict_._dict_ import by_key
 from automol.util.dict_._dict_ import by_value
 from automol.util.dict_._dict_ import values_by_key
 from automol.util.dict_._dict_ import value_by_unordered_key
 from automol.util.dict_._dict_ import values_in_multilevel_dct
 from automol.util.dict_._dict_ import value_in_floatkey_dct
-from automol.util.dict_._dict_ import separate_subdct
-from automol.util.dict_._dict_ import merge_subdct
 from automol.util.dict_._dict_ import keys_by_value
 from automol.util.dict_._dict_ import transform_keys
 from automol.util.dict_._dict_ import transform_values
@@ -31,11 +28,10 @@
 __all__ = [
     # functions
     'invert',
-    'empty_if_none', 'compose', 'right_update', 'by_key', 'by_value',
+    'empty_if_none', 'compose', 'by_key', 'by_value',
     'values_by_key', 'value_by_unordered_key',
     'values_in_multilevel_dct', 'value_in_floatkey_dct',
     'keys_by_value', 'transform_keys', 'transform_values',
-    'separate_subdct', 'merge_subdct',
     'transform_items_to_values',
     'keys_sorted_by_value',
     'values_sorted_by_key',

automol/util/dict_/_dict_.py

@@ -1,5 +1,6 @@
 """ Helper functions for working with Python dictionaries
 """
+
 import itertools
 from copy import deepcopy
 from typing import Any
@@ -42,33 +43,6 @@ def compose(dct1, dct2):
     return {k2: dct1[v2] for k2, v2 in dct2.items()}
 
 
-def right_update(dct1, dct2):
-    """Updates the entries of `dct1` with those of `dct2`.
-
-    :param dct1: dictionary1 that will be updated
-    :type dct1: dict
-    :param dct2: dictionary2 whose entries will override dct1
-    :type dct2: dict
-    :rtype: dict
-    """
-
-    dct = {}
-    dct1 = empty_if_none(dct1)
-    dct2 = empty_if_none(dct2)
-    dct.update(dct1)
-    dct.update(dct2)
-
-    # if both dictionaries have a nested dictionary, keep
-    # any non-overlapping nested key-value pairs and
-    # the dct2 key-values for overlapping keys.
-    for key, value in dct1.items():
-        if isinstance(value, dict) and key in dct2:
-            for subkey, subval in value.items():
-                if subkey not in dct2[key]:
-                    dct[key][subkey] = subval
-    return dct
-
-
 def by_key(dct, keys, fill=True, fill_val=None):
     """dictionary on a set of keys, filling missing entries
 
@@ -133,45 +107,6 @@ def values_in_multilevel_dct(dct, key1, key2, fill_val=None):
     return val
 
 
-def separate_subdct(dct, key="global"):
-    """Pulls out a sub-dictionary indexed by the given key and returns it
-    and the original dictioanry with the requested sub-dictionary removed
-    """
-
-    # Grab the sub-dictonary and
-    sub_dct = dct.get(key, {})
-
-    # Build a new copy of the input dictionary with the sub-dict removed
-    dct2 = deepcopy(dct)
-    dct2.pop(key, None)
-
-    return dct2, sub_dct
-
-
-def merge_subdct(dct, key="global", keep_subdct=False):
-    """Obtain a sub-dictionary indexed by a given key and merge its contents
-    with all of the other sub-dictionaries in the main dictionary.
-
-    :param dct: dictionary containing several sub-dictionaries
-    :type dct: dict[str: dict]
-    :param key: key for the sub-dictionary to be merged
-    :type key: str, int, float, tuple
-    :param keep_subdct: keep/remove the sub-dictionary following the merge
-    :type keep_subdct: bool
-    """
-
-    if list(dct.keys()) == [key]:
-        new_dct = {key: dct[key]}
-    else:
-        new_dct, sub_dct = separate_subdct(dct, key=key)
-        for new_key in new_dct:
-            new_dct[new_key] = right_update(sub_dct, new_dct[new_key])
-        if keep_subdct:
-            new_dct[key] = sub_dct
-
-    return new_dct
-
-
 def keys_by_value(dct, func=lambda x: x):
     """return dictionary keys for specific values"""
     return frozenset(key for key, val in dct.items() if func(val))
@@ -243,7 +178,7 @@ def merge_sequence(dcts):
     return merged_dct
 
 
-def sort_value_(dct, allow_missing: bool = True, missing_val: Any=None):
+def sort_value_(dct, allow_missing: bool = True, missing_val: Any = None):
     """Generate a sort value function from a dictionary
 
     :param dct: A dictionary
@@ -253,7 +188,9 @@ def sort_value_(dct, allow_missing: bool = True, missing_val: Any=None):
     :param missing_val: Value to assign to missing values, defaults to None
     :type missing_val: Any, optional
     """
+
     def sort_value(key):
         assert allow_missing or key in dct, "No key {key} in dictionary:\n{dict}"
         return dct[key] if key in dct else missing_val
+
     return sort_value