chemql-python 1.4.2__tar.gz → 1.5.1__tar.gz

{chemql_python-1.4.2/src/chemql_python.egg-info → chemql_python-1.5.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: chemql-python
-Version: 1.4.2
+Version: 1.5.1
 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:** `1.4.1`
+-   **Version:** `1.5.1`
 -   **PyPI distribution:** `chemql-python`
 -   **Python import / CLI name:** `chemql`
 -   **Author:** Mohammad Rakibul Islam
@@ -67,6 +67,9 @@ commands.
     matching.
 -   Use Python statements, expressions, variables, control flow,
     functions, macros, and structured values.
+-   Define enums with automatic or explicit values, and inherit structs
+      from structs, records, or Python classes; records can inherit from
+      other records.
 -   Execute shell commands and multiline shell blocks from the REPL.
 -   Export recorded commands and results.
 -   Use the command-line interface or import ChemQL from Python.
@@ -140,6 +143,18 @@ exit
 -   `list all` shows available sources and fields.
 -   `exit` leaves the prompt.
 
+### Terminal editor
+
+Install the package, then open a ChemQL file with the `codecql` command:
+
+``` bash
+codecql script.cql
+```
+
+The editor supports syntax highlighting, direct text editing, undo (`Ctrl+Z`),
+redo (`Ctrl+Y`), save (`Ctrl+S`), and quit (`Ctrl+Q`). Its syntax and UI
+colors are configurable in the packaged `chemql/colors.json` file.
+
 ## Query language
 
 A typical query starts with `search`, a source, optional conditions, and
@@ -652,7 +667,8 @@ command lists definitions in the current session.
 
 ## Structs and records
 
-ChemQL 1.4.1 supports required fields, marked with a trailing `!` or the
+ChemQL 1.5.0 supports enums and inheritance in addition to required fields,
+marked with a trailing `!` or the
 `required` keyword:
 
 ```text
@@ -684,6 +700,87 @@ Special methods such as `__add__` are intended for custom behaviour, but
 do not assume every Python data-model feature or operator dispatch path
 is fully implemented.
 
+### Enums
+
+An enum member without an explicit value receives an automatically generated
+integer value. Automatic values continue from the preceding numeric value:
+
+```text
+enum Levels
+    LOW = 50
+    MEDIUM
+    HIGH
+endenum
+
+let selected = Levels.MEDIUM
+[selected.value] // 51
+```
+
+### Inheritance
+
+Structs can inherit fields and behavior from another struct, a record, or a
+Python class available in ChemQL's Python globals. Records can inherit only
+from other records:
+
+```text
+struct Animal
+    name!
+endstruct
+
+struct Dog from Animal
+    color!
+    isSmall = False
+endstruct
+
+let pet = Dog{"Rex", "brown"}
+pet.name
+pet.color
+
+record Identity
+    id
+endrecord
+
+record Product from Identity
+    name
+endrecord
+
+let item = Product{7, "Copper"}
+item.id
+item.name
+```
+
+Structs may also extend a Python class defined or imported into the active
+Python namespace. Built-in classes such as `int` can be named directly; a
+bracketed Python expression such as `[int]` is also accepted. Initializer
+parameters from ordinary Python classes become inherited constructor fields,
+and the Python initializer is called when the ChemQL struct is constructed.
+Native value types such as `int` keep their native constructor and value
+behavior:
+
+```text
+[[[
+class PythonAnimal:
+    def __init__(self, name):
+        self.name = name
+]]]
+
+struct Pet from PythonAnimal
+    species = "unknown"
+endstruct
+
+let pet = Pet{"Milo", "cat"}
+pet.name
+pet.species
+```
+
+```text
+struct Integer from int
+endstruct
+
+let answer = Integer{42}
+[answer + 1] // 43
+```
+
 ## Namespaces
 
 Namespaces group functions, structs, records, and variables. Members are
@@ -866,6 +963,10 @@ Supported forms include `dump all|good|bad FILE`,
 `dump all|good|bad queries FILE`, and `dump all|good|bad results FILE`.
 `good` and `bad` select successful and failed executions respectively.
 
+## CLI code editor
+
+You can edit code in the terminal using `codecql script.cql` if your script is named `script.cql`
+
 ## Python API
 
 ``` python

{chemql_python-1.4.2 → chemql_python-1.5.1}/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:** `1.4.1`
+-   **Version:** `1.5.1`
 -   **PyPI distribution:** `chemql-python`
 -   **Python import / CLI name:** `chemql`
 -   **Author:** Mohammad Rakibul Islam
@@ -54,6 +54,9 @@ commands.
     matching.
 -   Use Python statements, expressions, variables, control flow,
     functions, macros, and structured values.
+-   Define enums with automatic or explicit values, and inherit structs
+      from structs, records, or Python classes; records can inherit from
+      other records.
 -   Execute shell commands and multiline shell blocks from the REPL.
 -   Export recorded commands and results.
 -   Use the command-line interface or import ChemQL from Python.
@@ -127,6 +130,18 @@ exit
 -   `list all` shows available sources and fields.
 -   `exit` leaves the prompt.
 
+### Terminal editor
+
+Install the package, then open a ChemQL file with the `codecql` command:
+
+``` bash
+codecql script.cql
+```
+
+The editor supports syntax highlighting, direct text editing, undo (`Ctrl+Z`),
+redo (`Ctrl+Y`), save (`Ctrl+S`), and quit (`Ctrl+Q`). Its syntax and UI
+colors are configurable in the packaged `chemql/colors.json` file.
+
 ## Query language
 
 A typical query starts with `search`, a source, optional conditions, and
@@ -639,7 +654,8 @@ command lists definitions in the current session.
 
 ## Structs and records
 
-ChemQL 1.4.1 supports required fields, marked with a trailing `!` or the
+ChemQL 1.5.0 supports enums and inheritance in addition to required fields,
+marked with a trailing `!` or the
 `required` keyword:
 
 ```text
@@ -671,6 +687,87 @@ Special methods such as `__add__` are intended for custom behaviour, but
 do not assume every Python data-model feature or operator dispatch path
 is fully implemented.
 
+### Enums
+
+An enum member without an explicit value receives an automatically generated
+integer value. Automatic values continue from the preceding numeric value:
+
+```text
+enum Levels
+    LOW = 50
+    MEDIUM
+    HIGH
+endenum
+
+let selected = Levels.MEDIUM
+[selected.value] // 51
+```
+
+### Inheritance
+
+Structs can inherit fields and behavior from another struct, a record, or a
+Python class available in ChemQL's Python globals. Records can inherit only
+from other records:
+
+```text
+struct Animal
+    name!
+endstruct
+
+struct Dog from Animal
+    color!
+    isSmall = False
+endstruct
+
+let pet = Dog{"Rex", "brown"}
+pet.name
+pet.color
+
+record Identity
+    id
+endrecord
+
+record Product from Identity
+    name
+endrecord
+
+let item = Product{7, "Copper"}
+item.id
+item.name
+```
+
+Structs may also extend a Python class defined or imported into the active
+Python namespace. Built-in classes such as `int` can be named directly; a
+bracketed Python expression such as `[int]` is also accepted. Initializer
+parameters from ordinary Python classes become inherited constructor fields,
+and the Python initializer is called when the ChemQL struct is constructed.
+Native value types such as `int` keep their native constructor and value
+behavior:
+
+```text
+[[[
+class PythonAnimal:
+    def __init__(self, name):
+        self.name = name
+]]]
+
+struct Pet from PythonAnimal
+    species = "unknown"
+endstruct
+
+let pet = Pet{"Milo", "cat"}
+pet.name
+pet.species
+```
+
+```text
+struct Integer from int
+endstruct
+
+let answer = Integer{42}
+[answer + 1] // 43
+```
+
 ## Namespaces
 
 Namespaces group functions, structs, records, and variables. Members are
@@ -853,6 +950,10 @@ Supported forms include `dump all|good|bad FILE`,
 `dump all|good|bad queries FILE`, and `dump all|good|bad results FILE`.
 `good` and `bad` select successful and failed executions respectively.
 
+## CLI code editor
+
+You can edit code in the terminal using `codecql script.cql` if your script is named `script.cql`
+
 ## Python API
 
 ``` python

{chemql_python-1.4.2 → chemql_python-1.5.1}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "chemql-python"
-version = "1.4.2"
+version = "1.5.1"
 authors = [
     { name = "Mohammad Rakibul Islam", email = "rakibulofficial1017@gmail.com" }
 ]
@@ -20,6 +20,7 @@ test = ["pytest>=8.0"]
 
 [project.scripts]
 chemql = "chemql:main"
+codecql = "chemql.codecql:main"
 
 [tool.setuptools]
 package-dir = {"" = "src"}
@@ -29,6 +30,7 @@ where = ["src"]
 
 [tool.setuptools.package-data]
 chemql = [
+    "colors.json",
     "data/*.json",
     "data/THIRD_PARTY_LICENSES/*.txt",
     "html/*.html",