pysq 0.1.0__tar.gz

pysq-0.1.0/MANIFEST.in

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+include README.md
+include LICENSE
+recursive-include pysq *.dll
+recursive-include pysq *.pyd
+

pysq-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: pysq
+Version: 0.1.0
+Summary: Python SDK for Siroquant API V5
+Author: Siroquant
+License: Proprietary
+Classifier: Development Status :: 4 - Beta
+Classifier: Intended Audience :: Developers
+Classifier: Intended Audience :: Science/Research
+Classifier: Operating System :: Microsoft :: Windows
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.8
+Classifier: Programming Language :: Python :: 3.9
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Typing :: Typed
+Requires-Python: >=3.8
+Description-Content-Type: text/markdown
+Provides-Extra: dev
+Requires-Dist: pytest; extra == "dev"
+Requires-Dist: pytest-asyncio; extra == "dev"
+Requires-Dist: mypy; extra == "dev"
+
+# PYSQ - Siroquant SDK for Python
+
+Python SDK for the Siroquant V5 API.
+
+## Quick Start
+
+```bash
+# Clone the repository
+git clone https://github.com/Siroquant/pysq.git
+cd pysq
+
+# Install the package
+pip install .
+
+# Run the example
+python examples/simple_example.py
+```
+
+## Configuration
+
+Set paths via environment variables or code:
+
+- `SQ_LIB_DIR`: Library directory path
+- `SQ_DLL_PATH`: DLL path (optional, auto-detected)
+
+## Requirements
+
+- Python 3.8+
+- Windows (x64)
+- Siroquant V5

pysq-0.1.0/README.md

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+# PYSQ - Siroquant SDK for Python
+
+Python SDK for the Siroquant V5 API.
+
+## Quick Start
+
+```bash
+# Clone the repository
+git clone https://github.com/Siroquant/pysq.git
+cd pysq
+
+# Install the package
+pip install .
+
+# Run the example
+python examples/simple_example.py
+```
+
+## Configuration
+
+Set paths via environment variables or code:
+
+- `SQ_LIB_DIR`: Library directory path
+- `SQ_DLL_PATH`: DLL path (optional, auto-detected)
+
+## Requirements
+
+- Python 3.8+
+- Windows (x64)
+- Siroquant V5

pysq-0.1.0/pyproject.toml

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+[build-system]
+requires = ["setuptools>=45", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "pysq"
+version = "0.1.0"
+description = "Python SDK for Siroquant API V5"
+readme = "README.md"
+requires-python = ">=3.8"
+license = {text = "Proprietary"}
+authors = [
+    {name = "Siroquant"}
+]
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Developers",
+    "Intended Audience :: Science/Research",
+    "Operating System :: Microsoft :: Windows",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "Topic :: Scientific/Engineering :: Chemistry",
+    "Typing :: Typed",
+]
+dependencies = []
+
+[project.optional-dependencies]
+dev = ["pytest", "pytest-asyncio", "mypy"]
+
+[tool.setuptools]
+packages = ["pysq"]
+
+[tool.setuptools.package-data]
+pysq = ["*.dll", "py.typed"]
+
+[tool.mypy]
+python_version = "3.8"
+warn_return_any = true
+warn_unused_configs = true
+disallow_untyped_defs = true
+
+[tool.pytest.ini_options]
+asyncio_mode = "auto"
+testpaths = ["tests"]

pysq-0.1.0/pysq/__init__.py

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+"""pysq - Python SDK for Siroquant API V5."""
+
+from .api import SQAPI, TaskContext
+from .config import SQAPIConfig
+from .constants import SQErrorCode, SaveTaskFlags, ERROR_MESSAGES, cmaxphases, LIB_NAME
+from .exceptions import (
+    SQAPIError,
+    SQAPITaskError,
+    SQAPIRefinementError,
+    SQAPIConfigError
+)
+from .dataclasses import (
+    UnitCell,
+    UVW,
+    TaskInfo,
+    PatternInfo,
+    RefinementParams,
+    RefinementResult,
+    PhaseResult,
+    SearchMatchResult,
+    TraceInfo,
+    CrystalliteResult,
+    AmorphousResult
+)
+from .utils import (
+    validate_task_file,
+    validate_pattern_file,
+    export_results_to_csv,
+    format_error_message
+)
+
+# Version: single source from pyproject.toml via importlib.metadata
+try:
+    from importlib.metadata import version as _get_version, PackageNotFoundError
+    __version__ = _get_version("pysq")
+except (PackageNotFoundError, ImportError):
+    __version__ = "0.1.0"  # Fallback for development installs
+
+__all__ = [
+    # Main API
+    "SQAPI",
+    "TaskContext",
+    "SQAPIConfig",
+    # Constants
+    "SQErrorCode",
+    "SaveTaskFlags",
+    "ERROR_MESSAGES",
+    "cmaxphases",
+    "LIB_NAME",
+    # Exceptions
+    "SQAPIError",
+    "SQAPITaskError",
+    "SQAPIRefinementError",
+    "SQAPIConfigError",
+    # Dataclasses
+    "UnitCell",
+    "UVW",
+    "TaskInfo",
+    "PatternInfo",
+    "RefinementParams",
+    "RefinementResult",
+    "PhaseResult",
+    "SearchMatchResult",
+    "TraceInfo",
+    "CrystalliteResult",
+    "AmorphousResult",
+    # Utilities
+    "validate_task_file",
+    "validate_pattern_file",
+    "export_results_to_csv",
+    "format_error_message",
+    # Version
+    "__version__",
+]