chemql-python 1.5.4__tar.gz → 1.5.5__tar.gz

{chemql_python-1.5.4 → chemql_python-1.5.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: chemql-python
-Version: 1.5.4
+Version: 1.5.5
 Summary: A chemistry-focused query language and REPL
 Author-email: Mohammad Rakibul Islam <rakibulofficial1017@gmail.com>
 Requires-Python: >=3.10
@@ -19,7 +19,7 @@ SQL-inspired syntax, inspect elements and molecules, look up reactions,
 balance equations, and combine chemistry queries with Python and shell
 commands.
 
--   **Version:** `1.5.4`
+-   **Version:** `1.5.5`
 -   **PyPI distribution:** `chemql-python`
 -   **Python import / CLI name:** `chemql`
 -   **Author:** Mohammad Rakibul Islam

{chemql_python-1.5.4 → chemql_python-1.5.5}/README.md

@@ -6,7 +6,7 @@ SQL-inspired syntax, inspect elements and molecules, look up reactions,
 balance equations, and combine chemistry queries with Python and shell
 commands.
 
--   **Version:** `1.5.4`
+-   **Version:** `1.5.5`
 -   **PyPI distribution:** `chemql-python`
 -   **Python import / CLI name:** `chemql`
 -   **Author:** Mohammad Rakibul Islam

{chemql_python-1.5.4 → chemql_python-1.5.5}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "chemql-python"
-version = "1.5.4"
+version = "1.5.5"
 authors = [
     { name = "Mohammad Rakibul Islam", email = "rakibulofficial1017@gmail.com" }
 ]

{chemql_python-1.5.4 → chemql_python-1.5.5}/src/chemql/__init__.py

@@ -64,7 +64,7 @@ __all__ = [
     "__version__"
 ]
 
-__version__ = "1.5.4"
+__version__ = "1.5.5"
 
 # Persistent preprocessor/function state for the current ChemQL session.
 DEFINITIONS = {}
@@ -5699,15 +5699,36 @@ def execute(arguments, query_text=None, positions=None):
     # These are syntactic sugar for normal search queries.
     if arguments[0] == "findel":
         if len(arguments) < 2:
-            return "Usage: findel <name-or-symbol>"
+            return "Usage: findel <name-or-symbol> [return <attribute> ...]"
 
         value = arguments[1]
         
         return_attributes = None
+        if "return" in arguments[2:]:
+            return_index = arguments.index("return", 2)
+            return_attributes = arguments[return_index + 1:]
 
-        return execute(
-            ["search", "elements", "name", "like", value, "or", "symbol", "like", value]
-        )
+            if not return_attributes:
+                return "Usage: findel <name-or-formula> return <attribute> ..."
+
+            for attribute in return_attributes:
+                if attribute not in elementKeys:
+                    return (f"There is no key `{attribute}`" if NO_ANSI else f"There is no key \033[1m{attribute}\033[22m")
+
+            if return_index != 2:
+                return "Usage: findel <name-or-formula> [return <attribute> ...]"
+
+        elif len(arguments) > 2:
+            return "Usage: findel <name-or-formula> [return <attribute> ...]"
+
+        if return_attributes is not None:
+            return execute(
+                ["search", "elements", "name", "like", value, "or", "symbol", "like", value, "return", *return_attributes]
+            )
+        else:
+            return execute(
+                ["search", "elements", "name", "like", value, "or", "symbol", "like", value]
+            )
 
     if arguments[0] == "findmol":
         if len(arguments) < 2:

{chemql_python-1.5.4 → chemql_python-1.5.5}/src/chemql_python.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: chemql-python
-Version: 1.5.4
+Version: 1.5.5
 Summary: A chemistry-focused query language and REPL
 Author-email: Mohammad Rakibul Islam <rakibulofficial1017@gmail.com>
 Requires-Python: >=3.10
@@ -19,7 +19,7 @@ SQL-inspired syntax, inspect elements and molecules, look up reactions,
 balance equations, and combine chemistry queries with Python and shell
 commands.
 
--   **Version:** `1.5.4`
+-   **Version:** `1.5.5`
 -   **PyPI distribution:** `chemql-python`
 -   **Python import / CLI name:** `chemql`
 -   **Author:** Mohammad Rakibul Islam