new grammar for the complex queries (#75, #71, #54)

abcd/parsers/queries_new.py

@@ -0,0 +1,111 @@
+import logging
+from lark import Lark, Transformer, v_args
+from lark.lexer import Token
+from lark.exceptions import LarkError
+
+logger = logging.getLogger(__name__)
+
+
+# TODO: Reversed operator in the grammar (value op prop VS prop op value VS IN)
+
+class DebugTransformer(Transformer):  # pragma: no cover
+
+    def __init__(self):
+        super().__init__()
+
+    def __default__(self, data, children, meta):
+        print('Node: ', data, children)
+        return data
+
+
+if __name__ == '__main__':
+    logging.basicConfig(level=logging.INFO)
+
+    with open('query_new.lark') as file:
+        parser = Lark(file.read(), start='expression')
+
+    transformer = DebugTransformer()
+
+    # queries = (
+    #     ' ',
+    #     'NOT ( chemical_formula_hill = "Al" AND chemical_formula_anonymous = "A" OR chemical_formula_anonymous = "H2O" AND NOT chemical_formula_hill = "Ti" )',
+    #     'nelements > 3',
+    #     'chemical_formula_hill = "H2O" AND chemical_formula_anonymous != "AB"',
+    #     '_exmpl_aax <= +.1e8 OR nelements >= 10 AND NOT ( _exmpl_x != "Some string" OR NOT _exmpl_a = 7)',
+    #     '_exmpl_spacegroup="P2"',
+    #     '_exmpl_cell_volume<100.0',
+    #     '_exmpl_bandgap > 5.0 AND _exmpl_molecular_weight < 350',
+    #     '_exmpl_melting_point<300 AND nelements=4 AND elements="Si,O2"',
+    #     '_exmpl_some_string_property = 42',
+    #     '5 < _exmpl_a',
+    #     '((NOT (_exmpl_a>_exmpl_b)) AND _exmpl_x>0)',
+    #     '5 < 7',
+    #     'identifier1.identifierd2 = 42',
+    #     'NOT a > b OR c = 100 AND f = "C2 H6"',
+    #     '(NOT (a > b)) OR ( (c = 100) AND (f = "C2 H6") )',
+    #     'a >= 0 AND NOT b < c OR c = 0',
+    #     '((a >= 0) AND (NOT (b < c))) OR (c = 0)',
+    #     'te < st',
+    #     'spacegroup="P2"',
+    #     '_cod_cell_volume<100.0',
+    #     '_mp_bandgap > 5.0 AND _cod_molecular_weight < 350',
+    #     '_cod_melting_point<300 AND nelements=4 AND elements="Si,O2"',
+    #     'number=0.ANDnumber=.0ANDnumber=0.0ANDnumber=+0ANDNUMBER=-0ANDnumber=0e1ANDnumber=0e-1ANDnumber=0e+1',
+    #     'key=value',
+    #     'author=" someone "',
+    #     'NOTICE=val',
+    #     'author="Sąžininga Žąsis"',
+    #     'a = 12345 AND b = +12 AND c = -34 AND d = 1.2 AND e = .2E7 AND f = -.2E+7 AND g = +10.01E-10 AND h = 6.03e23 AND i = .1E1 AND j = -.1e1 AND k = 1.e-12 AND l = -.1e-12 AND m = 1000000000.E1000000000',
+    #     'field = "!#$%&\'() * +, -./:; <= > ? @[] ^ `{|}~ % "',
+    #     # 'number=0.0.1',
+    #     # 'chemical_formula_anonymous CONTAINS "C2" AND chemical_formula_anonymous STARTS WITH "A2"',
+    #     # 'chemical_formula_anonymous STARTS "B2" AND chemical_formula_anonymous ENDS WITH "D2"',
+    #     # 'list HAS < 3',
+    #     # 'list HAS ALL < 3, > 3',
+    #     # 'list:list HAS >=2:<=5',
+    #     # 'elements HAS "H" AND elements HAS ALL "H","He","Ga","Ta" AND elements HAS ONLY "H","He","Ga","Ta" AND elements HAS ANY "H", "He", "Ga", "Ta"',
+    #     # 'elements HAS ONLY "H","He","Ga","Ta"',
+    #     # 'elements:_exmpl_element_counts HAS "H":6 AND elements:_exmpl_element_counts HAS ALL "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6 AND elements:_exmpl_element_counts HAS ANY "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6,"He":7',
+    #     # '_exmpl_element_counts HAS < 3 AND _exmpl_element_counts HAS ANY > 3, = 6, 4, != 8',
+    #     # 'elements:_exmpl_element_counts:_exmpl_element_weights HAS ANY > 3:"He":>55.3 , = 6:>"Ti":<37.6 , 8:<"Ga":0',
+    #     # 'chemical_formula_hill IS KNOWN AND NOT chemical_formula_anonymous IS UNKNOWN',
+    # )
+
+    queries = (
+        ' ',
+        'single',
+        'not single',
+        'operator_gt > 23 ',
+        'operator_gt > -2.31e-5 ',
+        'string = "some string"',
+        'regexp ~ ".*H"',
+        'aa & not bb',
+        'aa & bb > 23.54 | cc & dd',
+        'aa and bb > 22 and cc > 33 and dd > 44 ',
+        '((aa and bb > 22) and cc > 33) and dd > 44 ',
+        '(aa and bb > 22) and (cc > 33 and dd > 44) ',
+        '(aa and bb > 22 and cc > 33 and dd > 44) ',
+        'aa and bb > 23.54 or 22 in cc and dd',
+        'aa & bb > 23.54 | (22 in cc & dd)',
+        'aa and bb > 23.54 or (22 in cc and dd)',
+        'aa and not (bb > 23.54 or (22 in cc and dd))',
+        'expression = (bb/3-1)*cc',
+        'energy/n_atoms > 3',
+        '1=3',
+        'all(aa) > 3',
+        'any(aa) > 3',
+        'aa = False',
+        'aa = [True, True, True]',
+    )
+
+    for query in queries:
+        print(query)
+
+        try:
+            tree = parser.parse(query)
+            # print(tree)
+            # print(tree.pretty())
+            print(transformer.transform(tree))
+
+        except LarkError:
+            raise NotImplementedError

abcd/parsers/query_new.lark

@@ -0,0 +1,75 @@
+// Complex query grammar for ABCD (Lark format)
+
+expression: [or_expression]
+
+// Logical operators/expressions
+or_expression:  and_expression (_OR and_expression)*
+and_expression: not_expression (_AND not_expression)*
+not_expression: _NOT not_expression -> not
+              | comparison
+
+_OR: "OR" | "or" | "|"
+_AND: "AND" | "and" | "&"
+_NOT: "NOT" | "not"
+
+// Comparison operators
+comparison: arithmetic_expression (_comp_operator arithmetic_expression)*
+
+// arithmetic expressions
+arithmetic_expression: term (_add_operator term)*
+
+term: factor (_mul_operator factor)*
+
+factor: _factor_operator factor
+      | power
+
+power: atom_expression ["^" factor]
+
+// Atomic expressions
+
+atom_expression: atom_expression "(" [arguments] ")"    -> funccall
+               | atom_expression "[" subscriptlist "]"  -> getitem
+               | atom_expression "." NAME               -> getattr
+               | atom
+
+atom: "(" [testlist_comp] ")" -> tuple
+    | "[" [testlist_comp] "]"  -> list
+    | NAME -> var
+    | number
+    | string
+    | "(" expression ")"
+    | "None"    -> const_none
+    | "True"    -> const_true
+    | "False"   -> const_false
+
+
+arguments: expression ("," expression)*
+
+subscriptlist: subscript ("," subscript)*
+subscript: expression | [expression] ":" [expression]
+
+testlist_comp: expression ("," expression)*
+
+//Operators
+
+!_factor_operator: "+" | "-"
+!_add_operator: "+" | "-"
+!_mul_operator: "*" | "/"
+
+!_comp_operator: "<" | "<=" | ">" | ">=" | "=" | "!=" | "~" | "in"
+
+// Primitive types
+
+number: SIGNED_INT | SIGNED_FLOAT
+string: ESCAPED_STRING
+
+// Tokens
+
+%import common.SIGNED_INT
+%import common.SIGNED_FLOAT
+%import common.ESCAPED_STRING
+%import common.CNAME -> NAME
+
+// White-space
+%import common.WS
+%ignore WS