pythermodb-settings 0.1.0__py3-none-any.whl

pythermodb_settings/__init__.py

@@ -0,0 +1,14 @@
+# export
+from .configs.about import (
+    __version__,
+    __description__,
+    __author__,
+    __author_email__,
+)
+
+__all__ = [
+    "__version__",
+    "__description__",
+    "__author__",
+    "__author_email__",
+]

pythermodb_settings/configs/__init__.py

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+from .about import (
+    __version__,
+    __description__,
+    __author__,
+    __author_email__,
+)
+
+__all__ = [
+    "__version__",
+    "__description__",
+    "__author__",
+    "__author_email__",
+]

pythermodb_settings/configs/about.py

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+# NOTE: app info
+__version__ = "0.1.0"
+__description__ = """PyThermoDB Settings is a Python package that acts as an interface between pythermdb and other applications, providing robust, Pydantic-based data models and configuration structures for managing thermodynamic database (ThermoDB) settings."""
+__author__ = "Sina Gilassi"
+__author_email__ = "sina.gilassi@gmail.com"

pythermodb_settings/models/__init__.py

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+# export
+from .components import Component
+from .conditions import Temperature, Pressure
+from .configs import ComponentConfig
+from .references import (
+    ReferenceThermoDB,
+    ComponentReferenceThermoDB,
+    ReferencesThermoDB,
+    CustomReference
+)
+from .rules import ComponentRule
+
+__all__ = [
+    "Component",
+    "Temperature",
+    "Pressure",
+    "ComponentConfig",
+    "ReferenceThermoDB",
+    "ComponentReferenceThermoDB",
+    "ReferencesThermoDB",
+    "CustomReference",
+    "ComponentRule"
+]

pythermodb_settings/models/components.py

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+# import libs
+from typing import (
+    Literal
+)
+from pydantic import (
+    BaseModel,
+    Field,
+    ConfigDict
+)
+
+
+class Component(BaseModel):
+    """
+    Component model for input validation
+
+    Attributes
+    ----------
+    name : str
+        Name of the component.
+    formula : str
+        Chemical formula of the component.
+    state : Literal['g', 'l', 's', 'aq']
+        State of the component: 'g' for gas, 'l' for liquid, 's' for solid, 'aq' for aqueous.
+    mole_fraction : float, optional
+        Mole fraction of the component in a mixture, if applicable. Default is 1.0.
+    """
+    name: str = Field(..., description="Name of the component")
+    formula: str = Field(..., description="Chemical formula of the component")
+    state: Literal['g', 'l', 's', 'aq'] = Field(
+        ...,
+        description="State of the component: 'g' for gas, 'l' for liquid, 's' for solid, 'aq' for aqueous"
+    )
+    mole_fraction: float = Field(
+        default=1.0,
+        description="Mole fraction of the component in a mixture, if applicable"
+    )
+
+    model_config = ConfigDict(
+        arbitrary_types_allowed=True,
+        extra="allow"
+    )

pythermodb_settings/models/conditions.py

@@ -0,0 +1,49 @@
+# import libs
+from pydantic import (
+    BaseModel,
+    Field,
+    ConfigDict
+)
+
+
+class Temperature(BaseModel):
+    """
+    Temperature model for input validation
+
+    Attributes
+    ----------
+    value : float
+        Temperature value.
+    unit : str
+        Temperature unit, e.g., 'K', 'C', 'F'.
+    """
+    value: float = Field(..., description="Temperature value")
+    unit: str = Field(..., description="Temperature unit, e.g., 'K', 'C', 'F'")
+
+    model_config = ConfigDict(
+        arbitrary_types_allowed=True,
+        extra="allow"
+    )
+
+
+class Pressure(BaseModel):
+    """
+    Pressure model for input validation
+
+    Attributes
+    ----------
+    value : float
+        Pressure value.
+    unit : str
+        Pressure unit, e.g., 'bar', 'atm', 'Pa'.
+    """
+    value: float = Field(..., description="Pressure value")
+    unit: str = Field(
+        ...,
+        description="Pressure unit, e.g., 'bar', 'atm', 'Pa'"
+    )
+
+    model_config = ConfigDict(
+        arbitrary_types_allowed=True,
+        extra="allow"
+    )

pythermodb_settings/models/configs.py

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+# import libs
+from typing_extensions import TypedDict
+
+
+class ComponentConfig(TypedDict, total=False):
+    """
+    Component configuration model
+
+    Attributes
+    ----------
+    databook : str
+        Name of the databook.
+    table : str
+        Name of the table in the databook.
+    mode : str
+        Mode of the configuration, e.g., 'strict', 'lenient'.
+    label : str
+        Optional label for the configuration.
+    labels : dict[str, str]
+        Optional dictionary of labels for additional configuration details.
+    """
+    databook: str
+    table: str
+    mode: str
+    label: str  # optional
+    labels: dict[str, str]  # optional

pythermodb_settings/models/references.py

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+# import libs
+from typing import (
+    Literal,
+    Dict,
+    List,
+    Optional,
+    Any,
+)
+from pydantic import (
+    BaseModel,
+    Field,
+    ConfigDict
+)
+# local
+from .configs import ComponentConfig
+from .rules import ComponentRule
+from .components import Component
+
+# NOTE: custom reference models
+CustomReference = Dict[str, List[str]]
+
+
+# NOTE: reference thermodb model
+class ReferenceThermoDB(BaseModel):
+    """
+    Model for reference thermodynamic database (ThermoDB).
+
+    Attributes
+    ----------
+    reference : Dict[str, List[str]]
+        Dictionary of references with their associated contents.
+    contents : List[str]
+        List of reference contents used for building the thermodynamic database.
+    configs : Dict[str, ComponentConfig]
+        Reference configuration used for building the thermodynamic database.
+    rules : ComponentRule
+        Reference rules generated from the reference configuration.
+    labels : Optional[List[str]]
+        List of labels used in the reference config.
+    ignore_labels : Optional[List[str]]
+        List of property labels to ignore state during the build.
+    ignore_props : Optional[List[str]]
+        List of property names to ignore state during the build.
+
+    Notes
+    -----
+    - The `reference_configs` attribute holds the configuration details that guide how the thermodynamic data is structured and referenced.
+    - The `reference_rules` attribute contains rules derived from the reference configurations, which may include mappings or transformations applied to the data.
+    - The `labels` attribute is optional and can be used to tag or categorize the reference configurations for easier identification and retrieval.
+    """
+    reference: Dict[str, List[str]] = Field(
+        ...,
+        description="Dictionary of references with their associated contents."
+    )
+    contents: List[str] = Field(
+        ...,
+        description="List of reference contents used for building the thermodynamic database."
+    )
+    configs: Dict[str, ComponentConfig] = Field(
+        default_factory=dict,
+        description="Reference configuration used for building the thermodynamic database."
+    )
+    rules: Dict[str, ComponentRule] = Field(
+        default_factory=dict,
+        description="Reference rules generated from the reference configuration."
+    )
+    labels: Optional[List[str]] = Field(
+        default_factory=list,
+        description="List of labels used in the reference config."
+    )
+    ignore_labels: Optional[List[str]] = Field(
+        default_factory=list,
+        description="List of property labels to ignore state during the build."
+    )
+    ignore_props: Optional[List[str]] = Field(
+        default_factory=list,
+        description="List of property names to ignore state during the build."
+    )
+
+    model_config = ConfigDict(
+        arbitrary_types_allowed=True,
+        extra="allow"
+    )
+
+
+# NOTE: component reference thermodb model
+
+class ComponentReferenceThermoDB(BaseModel):
+    """
+    Model for component thermodynamic database (ThermoDB).
+
+    Attributes
+    ----------
+    component : Component
+        The component for which the thermodynamic database is built.
+    reference_thermodb : ReferenceThermoDB
+        Reference thermodynamic database.
+    component_key : Literal['Name-State', 'Formula-State', 'Name', 'Formula', 'Name-Formula-State'], optional
+        Key to identify the component in the reference content, by default 'Name-State'.
+    """
+    component: Component = Field(
+        ...,
+        description="The component for which the thermodynamic database is built."
+    )
+    reference_thermodb: ReferenceThermoDB = Field(
+        ..., description="Reference thermodynamic database."
+    )
+
+    model_config = ConfigDict(
+        arbitrary_types_allowed=True,
+        extra="allow"
+    )
+
+# NOTE: references thermodb model
+
+
+class ReferencesThermoDB(BaseModel):
+    """
+    Model for references thermodynamic database (ThermoDB).
+    """
+    reference: Dict[str, Dict[str, List[str]]] = Field(
+        ...,
+        description="Dictionary of references with their associated contents."
+    )
+    contents: Dict[str, List[str]] = Field(
+        ...,
+        description="List of reference contents used for building the thermodynamic database."
+    )
+    configs: Dict[str, Dict[str, ComponentConfig]] = Field(
+        default_factory=dict,
+        description="Reference configuration used for building the thermodynamic database."
+    )
+    rules: Dict[str, Dict[str, ComponentRule]] = Field(
+        default_factory=dict,
+        description="Reference rules generated from the reference configuration."
+    )
+    labels: Dict[str, List[str]] = Field(
+        default_factory=dict,
+        description="Dictionary of labels used in the reference config."
+    )
+    ignore_labels: Dict[str, List[str]] = Field(
+        default_factory=dict,
+        description="Dictionary of property labels to ignore state during the build."
+    )
+    ignore_props: Dict[str, List[str]] = Field(
+        default_factory=dict,
+        description="Dictionary of property names to ignore state during the build."
+    )
+    model_config = ConfigDict(
+        arbitrary_types_allowed=True,
+        extra="allow"
+    )

pythermodb_settings/models/rules.py

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+# import libs
+from typing import Dict
+
+ComponentRule = Dict[str, str]

pythermodb_settings-0.1.0.dist-info/METADATA

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+Metadata-Version: 2.4
+Name: pythermodb-settings
+Version: 0.1.0
+Summary: Add your description here
+Author-email: Sina Gilassi <sina.gilassi@gmail.com>
+License-Expression: MIT
+Project-URL: Homepage, https://github.com/sinagilassi/PyThermoDB-Settings
+Project-URL: Tracker, https://github.com/sinagilassi/PyThermoDB-Settings/issues
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Operating System :: OS Independent
+Requires-Python: >=3.11
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: pydantic>=2.11.7
+Requires-Dist: pydantic-settings>=2.10.1
+Dynamic: license-file
+
+
+# ⚗️ PyThermoDB Settings
+
+[![PyPI Downloads](https://static.pepy.tech/badge/pythermodb-settings/month)](https://pepy.tech/projects/pythermodb-settings)
+![PyPI Version](https://img.shields.io/pypi/v/pythermodb-settings)
+![Supported Python Versions](https://img.shields.io/pypi/pyversions/pythermodb-settings.svg)
+![License](https://img.shields.io/pypi/l/pythermodb-settings)
+
+## 📖 Introduction
+
+**PyThermoDB Settings** is a Python package that acts as an interface between [pythermdb](https://github.com/sinagilassi/pythermdb) and other applications, providing robust, Pydantic-based data models and configuration structures for managing thermodynamic database (ThermoDB) settings.
+
+## ✨ Features
+
+- 🧪 **Component Modeling:**
+
+	Define chemical components with attributes such as name, formula, state (gas, liquid, solid, aqueous), and mole fraction.
+
+- 🌡️ **Condition Models:**
+
+	Represent temperature and pressure conditions with unit validation.
+
+- ⚙️ **Component Configuration:**
+
+	TypedDict-based configuration for databook, table, mode, and custom labels.
+
+- 📚 **Reference Models:**
+
+	- `ReferenceThermoDB`: Structure for reference thermodynamic databases, including references, contents, configs, rules, and label management.
+	- `ComponentReferenceThermoDB`: Links a component to its reference database.
+	- `ReferencesThermoDB`: Handles multiple references and their configurations.
+
+- 📏 **Rule Management:**
+
+	Define and manage rules for components using dictionary-based structures.
+
+- ✅ **Extensible and Validated:**
+
+	All models use Pydantic for input validation and extensibility.
+
+
+## 💾 Installation
+
+Install via pip (after packaging):
+
+```bash
+pip install pythermodb_settings
+```
+
+
+## 🚀 Usage Example
+
+```python
+from pythermodb_settings.models import Component, Temperature, Pressure
+
+# component example
+component = Component(
+		name="Water",
+		formula="H2O",
+		state="l",
+		mole_fraction=1.0
+)
+
+# condition examples
+temperature = Temperature(value=298.15, unit="K")
+pressure = Pressure(value=1.0, unit="atm")
+```
+
+## 📝 API Documentation
+
+
+### 🧩 Models
+
+- **Component**
+
+	- `name`: str — Name of the component
+	- `formula`: str — Chemical formula
+	- `state`: Literal['g', 'l', 's', 'aq'] — State (gas, liquid, solid, aqueous)
+	- `mole_fraction`: float — Mole fraction (default 1.0)
+
+- **Temperature**
+
+	- `value`: float — Temperature value
+	- `unit`: str — Unit (e.g., 'K', 'C', 'F')
+
+- **Pressure**
+
+	- `value`: float — Pressure value
+	- `unit`: str — Unit (e.g., 'bar', 'atm', 'Pa')
+
+- **ComponentConfig**
+
+	- `databook`: str — Name of the databook
+	- `table`: str — Table name
+	- `mode`: str — Mode (e.g., 'DATA', 'EQUATION')
+	- `label`: str — Optional label
+	- `labels`: dict[str, str] — Optional labels
+
+- **ReferenceThermoDB**
+
+	- `reference`: Dict[str, List[str]] — References and contents
+	- `contents`: List[str] — Reference contents
+	- `configs`: Dict[str, ComponentConfig] — Reference configs
+	- `rules`: Dict[str, ComponentRule] — Reference rules
+	- `labels`, `ignore_labels`, `ignore_props`: Optional label/property management
+
+- **ComponentReferenceThermoDB**
+
+	- `component`: Component
+	- `reference_thermodb`: ReferenceThermoDB
+
+- **ReferencesThermoDB**
+
+    - Handles multiple references, contents, configs, rules, and label management
+
+## 🤝 Contributing
+
+Contributions are welcome! Please feel free to submit a Pull Request to improve the project.
+
+## 📝 License
+
+This project is licensed under the MIT License. You are free to use, modify, and distribute this software in your own applications or projects. However, if you choose to use this app in another app or software, please ensure that my name, Sina Gilassi, remains credited as the original author. This includes retaining any references to the original repository or documentation where applicable. By doing so, you help acknowledge the effort and time invested in creating this project.
+
+## ❓ FAQ
+
+For any questions, contact me on [LinkedIn](https://www.linkedin.com/in/sina-gilassi/).
+
+## 👨‍💻 Authors
+
+- [@sinagilassi](https://www.github.com/sinagilassi)

pythermodb_settings-0.1.0.dist-info/RECORD

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pythermodb_settings-0.1.0.dist-info/WHEEL

@@ -0,0 +1,5 @@
+Wheel-Version: 1.0
+Generator: setuptools (80.9.0)
+Root-Is-Purelib: true
+Tag: py3-none-any
+

pythermodb_settings-0.1.0.dist-info/licenses/LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2025 Sina Gilassi
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

pythermodb_settings-0.1.0.dist-info/top_level.txt

@@ -0,0 +1 @@
+pythermodb_settings