chemql-python 1.5.0__tar.gz → 1.5.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {chemql_python-1.5.0/src/chemql_python.egg-info → chemql_python-1.5.2}/PKG-INFO +27 -2
- {chemql_python-1.5.0 → chemql_python-1.5.2}/README.md +26 -1
- {chemql_python-1.5.0 → chemql_python-1.5.2}/pyproject.toml +3 -1
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/__init__.py +1 -1
- chemql_python-1.5.2/src/chemql/codecql.py +924 -0
- chemql_python-1.5.2/src/chemql/colors.json +77 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2/src/chemql_python.egg-info}/PKG-INFO +27 -2
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql_python.egg-info/SOURCES.txt +3 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql_python.egg-info/entry_points.txt +1 -0
- chemql_python-1.5.2/tests/test_codecql.py +156 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/LICENSE +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/setup.cfg +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/__main__.py +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/BondEnergies.json +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/MoleculeBonds.json +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/Molecules.json +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/PeriodicTableJSON.json +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/Reactions.json +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/THIRD_PARTY_LICENSES/PeriodicTableJSON.txt +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/data/THIRD_PARTY_LICENSES/RHEA.txt +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/html/periodic_table.html +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/README.md +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/collections.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/datetime.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/decimal.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/fractions.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/json.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/math/statistics.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/math.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/pathlib.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/random.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql/stdlib/text.cql +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql_python.egg-info/dependency_links.txt +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql_python.egg-info/requires.txt +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/src/chemql_python.egg-info/top_level.txt +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/tests/test_external_molecule_lookup.py +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/tests/test_public_api.py +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/tests/test_reactions.py +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/tests/test_stdlib.py +0 -0
- {chemql_python-1.5.0 → chemql_python-1.5.2}/tests/test_structured_types.py +0 -0
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Metadata-Version: 2.4
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Name: chemql-python
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Version: 1.5.
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Version: 1.5.2
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Summary: A chemistry-focused query language and REPL
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Author-email: Mohammad Rakibul Islam <rakibulofficial1017@gmail.com>
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Requires-Python: >=3.10
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balance equations, and combine chemistry queries with Python and shell
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commands.
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- **Version:** `1.5.
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- **Version:** `1.5.1`
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- **PyPI distribution:** `chemql-python`
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- **Python import / CLI name:** `chemql`
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- **Author:** Mohammad Rakibul Islam
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- `list all` shows available sources and fields.
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- `exit` leaves the prompt.
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### Terminal editor
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Install the package, then open a ChemQL file with the `codecql` command:
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``` bash
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codecql script.cql
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```
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The editor supports syntax highlighting, direct text editing, word movement
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with `Ctrl`/`Alt`+Arrow, selection with `Shift`+Arrow, internal copy/cut/paste
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with `Ctrl+C`/`Ctrl+X`/`Ctrl+V` (copy also writes to the system clipboard
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when a supported clipboard command is available), word deletion with
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`Ctrl+Backspace`/`Ctrl+Delete`, and terminal bracketed paste. It also supports
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undo (`Ctrl+Z`), redo (`Ctrl+Y`), save (`Ctrl+S`), and quit (`Ctrl+Q`).
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Namespace declarations are highlighted and auto-indented. Its syntax and UI
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colors are configurable in the packaged `chemql/colors.json` file.
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Press `Ctrl+F` to search; matches highlight as you type. Press Enter or the
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Down Arrow for the next match, Up Arrow for the previous match, and Escape
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to close the search prompt. Searches are literal and case-insensitive by
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default. Prefix a query with `r:` for a case-sensitive regular expression,
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`ri:` for a case-insensitive regular expression, `l:` for case-sensitive
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literal text, or `li:` for case-insensitive literal text. Add `w` to match
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whole words, for example `lwi:cat`.
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## Query language
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A typical query starts with `search`, a source, optional conditions, and
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balance equations, and combine chemistry queries with Python and shell
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commands.
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- **Version:** `1.5.
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- **Version:** `1.5.1`
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- **PyPI distribution:** `chemql-python`
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- **Python import / CLI name:** `chemql`
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- **Author:** Mohammad Rakibul Islam
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- `list all` shows available sources and fields.
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- `exit` leaves the prompt.
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### Terminal editor
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Install the package, then open a ChemQL file with the `codecql` command:
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``` bash
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codecql script.cql
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```
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The editor supports syntax highlighting, direct text editing, word movement
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with `Ctrl`/`Alt`+Arrow, selection with `Shift`+Arrow, internal copy/cut/paste
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with `Ctrl+C`/`Ctrl+X`/`Ctrl+V` (copy also writes to the system clipboard
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when a supported clipboard command is available), word deletion with
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`Ctrl+Backspace`/`Ctrl+Delete`, and terminal bracketed paste. It also supports
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undo (`Ctrl+Z`), redo (`Ctrl+Y`), save (`Ctrl+S`), and quit (`Ctrl+Q`).
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Namespace declarations are highlighted and auto-indented. Its syntax and UI
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colors are configurable in the packaged `chemql/colors.json` file.
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Press `Ctrl+F` to search; matches highlight as you type. Press Enter or the
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Down Arrow for the next match, Up Arrow for the previous match, and Escape
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to close the search prompt. Searches are literal and case-insensitive by
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default. Prefix a query with `r:` for a case-sensitive regular expression,
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`ri:` for a case-insensitive regular expression, `l:` for case-sensitive
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literal text, or `li:` for case-insensitive literal text. Add `w` to match
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whole words, for example `lwi:cat`.
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## Query language
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A typical query starts with `search`, a source, optional conditions, and
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[project]
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name = "chemql-python"
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version = "1.5.
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version = "1.5.2"
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authors = [
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{ name = "Mohammad Rakibul Islam", email = "rakibulofficial1017@gmail.com" }
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]
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[project.scripts]
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chemql = "chemql:main"
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codecql = "chemql.codecql:main"
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[tool.setuptools]
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package-dir = {"" = "src"}
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[tool.setuptools.package-data]
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chemql = [
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"colors.json",
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"data/*.json",
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"data/THIRD_PARTY_LICENSES/*.txt",
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"html/*.html",
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