processforge 0.1.0__tar.gz

processforge-0.1.0/LICENSE

@@ -0,0 +1,29 @@
+BSD 3-Clause License
+
+Copyright (c) 2018, the respective contributors, as shown by the AUTHORS file.
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+
+* Redistributions of source code must retain the above copyright notice, this
+  list of conditions and the following disclaimer.
+
+* Redistributions in binary form must reproduce the above copyright notice,
+  this list of conditions and the following disclaimer in the documentation
+  and/or other materials provided with the distribution.
+
+* Neither the name of the copyright holder nor the names of its
+  contributors may be used to endorse or promote products derived from
+  this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
+DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
+FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
+DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
+SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
+CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

processforge-0.1.0/MANIFEST.in

@@ -0,0 +1,4 @@
+include LICENSE
+include README.md
+recursive-include src/processforge/schemas *.json
+recursive-include flowsheets *.json

processforge-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: processforge
+Version: 0.1.0
+Summary: A Python-based process simulation framework for chemical engineering applications.
+Author-email: Process Forge Team <team@processforge.dev>
+License-Expression: BSD-3-Clause
+Project-URL: Homepage, https://github.com/urjanova/processforge
+Project-URL: Repository, https://github.com/urjanova/processforge
+Project-URL: Issues, https://github.com/urjanova/processforge/issues
+Keywords: process,simulation,chemical,engineering,flowsheet
+Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Science/Research
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Topic :: Scientific/Engineering
+Requires-Python: >=3.12
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy>=2.0
+Requires-Dist: scipy>=1.14
+Requires-Dist: coolprop>=6.6
+Requires-Dist: matplotlib>=3.9
+Requires-Dist: loguru>=0.7
+Requires-Dist: jsonschema>=4.20
+Requires-Dist: graphviz>=0.20
+Requires-Dist: pandas>=2.2
+Requires-Dist: openpyxl>=3.1
+Provides-Extra: dev
+Requires-Dist: pytest>=7.0; extra == "dev"
+Requires-Dist: black; extra == "dev"
+Requires-Dist: flake8; extra == "dev"
+Requires-Dist: build; extra == "dev"
+Requires-Dist: twine; extra == "dev"
+Provides-Extra: docs
+Requires-Dist: sphinx; extra == "docs"
+Requires-Dist: sphinx-rtd-theme; extra == "docs"
+Dynamic: license-file
+
+# Process Forge
+
+A Python-based process simulation framework for chemical process engineering applications.
+
+## Table of Contents
+
+- [Features](#features)
+- [Available Unit Operations](#available-unit-operations)
+- [Installation](#installation)
+- [Usage](#usage)
+- [Quick Start Examples](#quick-start-examples)
+- [Project Structure](#project-structure)
+- [Dependencies](#dependencies)
+- [License](#license)
+
+## Features
+
+### Core Capabilities
+- Steady-state and dynamic process simulations
+- Thermodynamic property calculations using CoolProp
+- Multiple unit operations for hydraulic and thermal systems
+- Flowsheet modeling and solving with closed-loop (recycle) support
+
+### Recycle Loop Support
+- Automatic tear stream detection using graph analysis
+- Wegstein convergence acceleration for faster solving
+- Validation requirements ensure stability (Tank units required in loops)
+- Configurable convergence tolerance and iteration limits
+
+### Results & Visualization
+- Export formats: CSV and JSON for easy data analysis
+- Automatic plotting: temperature profiles and composition charts
+- Graphviz flowsheet diagrams (PNG and SVG)
+- Timeseries visualization for dynamic simulations
+
+### Validation & Quality
+- JSON schema validation for flowsheet configurations
+- Connectivity checks (inlet sources, unused outlets, unreachable units)
+- Comprehensive logging for debugging
+
+## Available Unit Operations
+
+| Unit Type | Mode | Description | Key Parameters |
+|-----------|------|-------------|----------------|
+| **Pump** | Steady-state | Adds pressure rise with efficiency losses | `deltaP`, `efficiency` |
+| **Valve** | Steady-state | Isenthalpic pressure reduction | `pressure_ratio` |
+| **Strainer** | Steady-state | Fixed pressure drop element | `deltaP` |
+| **Pipes** | Steady-state & Dynamic | Laminar flow with friction losses | `delta_p`, `diameter` |
+| **Tank** | Steady-state & Dynamic | Well-mixed molar tank | `inlet`, `outlet_flow`, `initial_n`, `initial_T`, `P`, `duty` |
+| **Flash** | Steady-state | Isothermal flash separator | `P` |
+| **Heater** | Steady-state | Temperature control unit | `duty`, `flowrate` |
+
+## Installation
+
+### From PyPI
+
+```bash
+pip install processforge
+```
+
+### From source (development)
+
+1. Clone the repository:
+   ```bash
+   git clone https://github.com/urjanova/processforge.git
+   cd processforge
+   ```
+
+2. Install the package:
+   ```bash
+   pip install -e ".[dev]"
+   ```
+
+   Or using uv:
+   ```bash
+   uv sync
+   ```
+
+## Usage
+
+### Command Line Interface
+
+ProcessForge provides a CLI with three subcommands:
+
+```bash
+# Run a simulation
+processforge run flowsheets/closed-loop-chain.json
+
+# Validate a flowsheet configuration
+processforge validate flowsheets/closed-loop-chain.json
+
+# Generate a flowsheet diagram
+processforge diagram flowsheets/closed-loop-chain.json
+processforge diagram flowsheets/closed-loop-chain.json --format svg --output-dir diagrams/
+```
+
+Running a simulation generates output files in the `outputs/` directory:
+- `*_results.json` - Simulation results in JSON format
+- `*_timeseries.json` - Time-series data for dynamic simulations
+- `*_timeseries.csv` - Tabular results with component compositions
+- `*_validation.xlsx` - Validation report
+
+### As a Python Module
+
+```python
+from processforge import Flowsheet, Pump, Tank, Pipes, validate_flowsheet
+
+# Load and validate a flowsheet
+config = validate_flowsheet("flowsheets/closed-loop-chain.json")
+
+# Run simulation
+fs = Flowsheet(config)
+results = fs.run()
+
+# Use individual unit operations
+pump = Pump("my_pump", deltaP=1e5, efficiency=0.8)
+outlet = pump.run({"T": 300, "P": 101325, "flowrate": 10, "z": {"Water": 1.0}})
+```
+
+## Quick Start Examples
+
+### Run a simulation
+```bash
+processforge run flowsheets/closed-loop-chain.json
+```
+
+### Validate a flowsheet
+```bash
+processforge validate flowsheets/closed-loop-chain.json
+```
+
+### Generate a flowsheet diagram
+```bash
+processforge diagram flowsheets/closed-loop-chain.json
+```
+
+## Project Structure
+
+```
+processforge/
+├── src/processforge/              # Core package
+│   ├── __init__.py               # Public API
+│   ├── flowsheet.py              # Flowsheet modeling with closed-loop handling
+│   ├── thermo.py                 # Thermodynamic calculations via CoolProp
+│   ├── result.py                 # Results export (CSV, JSON, Excel, plotting)
+│   ├── simulate.py               # CLI entry point with subcommands
+│   ├── solver.py                 # Solver interface
+│   ├── validate.py               # Simple schema validation
+│   ├── _schema.py                # Schema loader (importlib.resources)
+│   ├── units/                    # Unit operations
+│   │   ├── pump.py               # Pump with efficiency
+│   │   ├── valve.py              # Pressure-reducing valve
+│   │   ├── strainer.py           # Pressure drop element
+│   │   ├── pipes.py              # Pipe with friction losses
+│   │   ├── tank.py               # Well-mixed tank (steady & dynamic)
+│   │   ├── flash.py              # Isothermal flash separator
+│   │   └── heater.py             # Temperature control heater
+│   ├── utils/                    # Utilities
+│   │   ├── validate_flowsheet.py # Schema + connectivity validation
+│   │   └── flowsheet_diagram.py  # Graphviz visualization
+│   └── schemas/                  # Bundled JSON schemas
+│       └── flowsheet_schema.json
+├── flowsheets/                    # Example flowsheet configurations
+│   ├── closed-loop-chain.json    # Main example with recycle
+│   └── archive/                  # Additional examples
+├── pyproject.toml                # Project configuration
+└── MANIFEST.in                   # Source distribution manifest
+```
+
+## Dependencies
+
+Core dependencies:
+
+- **numpy** - Numerical computing
+- **scipy** - Scientific computing and ODE solvers
+- **coolprop** - Thermodynamic property calculations
+- **matplotlib** - Plotting and visualization
+- **loguru** - Logging
+- **jsonschema** - Configuration validation
+- **graphviz** - Flowsheet diagram generation
+- **pandas** - Data manipulation
+- **openpyxl** - Excel report generation
+
+## License
+
+This project is licensed under the BSD 3-Clause License. See the [LICENSE](LICENSE) file for details.
+
+For licensing inquiries, please [contact the development](https://forms.gle/wUweVnoSqA9VeD7m9) team.

processforge-0.1.0/README.md

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+# Process Forge
+
+A Python-based process simulation framework for chemical process engineering applications.
+
+## Table of Contents
+
+- [Features](#features)
+- [Available Unit Operations](#available-unit-operations)
+- [Installation](#installation)
+- [Usage](#usage)
+- [Quick Start Examples](#quick-start-examples)
+- [Project Structure](#project-structure)
+- [Dependencies](#dependencies)
+- [License](#license)
+
+## Features
+
+### Core Capabilities
+- Steady-state and dynamic process simulations
+- Thermodynamic property calculations using CoolProp
+- Multiple unit operations for hydraulic and thermal systems
+- Flowsheet modeling and solving with closed-loop (recycle) support
+
+### Recycle Loop Support
+- Automatic tear stream detection using graph analysis
+- Wegstein convergence acceleration for faster solving
+- Validation requirements ensure stability (Tank units required in loops)
+- Configurable convergence tolerance and iteration limits
+
+### Results & Visualization
+- Export formats: CSV and JSON for easy data analysis
+- Automatic plotting: temperature profiles and composition charts
+- Graphviz flowsheet diagrams (PNG and SVG)
+- Timeseries visualization for dynamic simulations
+
+### Validation & Quality
+- JSON schema validation for flowsheet configurations
+- Connectivity checks (inlet sources, unused outlets, unreachable units)
+- Comprehensive logging for debugging
+
+## Available Unit Operations
+
+| Unit Type | Mode | Description | Key Parameters |
+|-----------|------|-------------|----------------|
+| **Pump** | Steady-state | Adds pressure rise with efficiency losses | `deltaP`, `efficiency` |
+| **Valve** | Steady-state | Isenthalpic pressure reduction | `pressure_ratio` |
+| **Strainer** | Steady-state | Fixed pressure drop element | `deltaP` |
+| **Pipes** | Steady-state & Dynamic | Laminar flow with friction losses | `delta_p`, `diameter` |
+| **Tank** | Steady-state & Dynamic | Well-mixed molar tank | `inlet`, `outlet_flow`, `initial_n`, `initial_T`, `P`, `duty` |
+| **Flash** | Steady-state | Isothermal flash separator | `P` |
+| **Heater** | Steady-state | Temperature control unit | `duty`, `flowrate` |
+
+## Installation
+
+### From PyPI
+
+```bash
+pip install processforge
+```
+
+### From source (development)
+
+1. Clone the repository:
+   ```bash
+   git clone https://github.com/urjanova/processforge.git
+   cd processforge
+   ```
+
+2. Install the package:
+   ```bash
+   pip install -e ".[dev]"
+   ```
+
+   Or using uv:
+   ```bash
+   uv sync
+   ```
+
+## Usage
+
+### Command Line Interface
+
+ProcessForge provides a CLI with three subcommands:
+
+```bash
+# Run a simulation
+processforge run flowsheets/closed-loop-chain.json
+
+# Validate a flowsheet configuration
+processforge validate flowsheets/closed-loop-chain.json
+
+# Generate a flowsheet diagram
+processforge diagram flowsheets/closed-loop-chain.json
+processforge diagram flowsheets/closed-loop-chain.json --format svg --output-dir diagrams/
+```
+
+Running a simulation generates output files in the `outputs/` directory:
+- `*_results.json` - Simulation results in JSON format
+- `*_timeseries.json` - Time-series data for dynamic simulations
+- `*_timeseries.csv` - Tabular results with component compositions
+- `*_validation.xlsx` - Validation report
+
+### As a Python Module
+
+```python
+from processforge import Flowsheet, Pump, Tank, Pipes, validate_flowsheet
+
+# Load and validate a flowsheet
+config = validate_flowsheet("flowsheets/closed-loop-chain.json")
+
+# Run simulation
+fs = Flowsheet(config)
+results = fs.run()
+
+# Use individual unit operations
+pump = Pump("my_pump", deltaP=1e5, efficiency=0.8)
+outlet = pump.run({"T": 300, "P": 101325, "flowrate": 10, "z": {"Water": 1.0}})
+```
+
+## Quick Start Examples
+
+### Run a simulation
+```bash
+processforge run flowsheets/closed-loop-chain.json
+```
+
+### Validate a flowsheet
+```bash
+processforge validate flowsheets/closed-loop-chain.json
+```
+
+### Generate a flowsheet diagram
+```bash
+processforge diagram flowsheets/closed-loop-chain.json
+```
+
+## Project Structure
+
+```
+processforge/
+├── src/processforge/              # Core package
+│   ├── __init__.py               # Public API
+│   ├── flowsheet.py              # Flowsheet modeling with closed-loop handling
+│   ├── thermo.py                 # Thermodynamic calculations via CoolProp
+│   ├── result.py                 # Results export (CSV, JSON, Excel, plotting)
+│   ├── simulate.py               # CLI entry point with subcommands
+│   ├── solver.py                 # Solver interface
+│   ├── validate.py               # Simple schema validation
+│   ├── _schema.py                # Schema loader (importlib.resources)
+│   ├── units/                    # Unit operations
+│   │   ├── pump.py               # Pump with efficiency
+│   │   ├── valve.py              # Pressure-reducing valve
+│   │   ├── strainer.py           # Pressure drop element
+│   │   ├── pipes.py              # Pipe with friction losses
+│   │   ├── tank.py               # Well-mixed tank (steady & dynamic)
+│   │   ├── flash.py              # Isothermal flash separator
+│   │   └── heater.py             # Temperature control heater
+│   ├── utils/                    # Utilities
+│   │   ├── validate_flowsheet.py # Schema + connectivity validation
+│   │   └── flowsheet_diagram.py  # Graphviz visualization
+│   └── schemas/                  # Bundled JSON schemas
+│       └── flowsheet_schema.json
+├── flowsheets/                    # Example flowsheet configurations
+│   ├── closed-loop-chain.json    # Main example with recycle
+│   └── archive/                  # Additional examples
+├── pyproject.toml                # Project configuration
+└── MANIFEST.in                   # Source distribution manifest
+```
+
+## Dependencies
+
+Core dependencies:
+
+- **numpy** - Numerical computing
+- **scipy** - Scientific computing and ODE solvers
+- **coolprop** - Thermodynamic property calculations
+- **matplotlib** - Plotting and visualization
+- **loguru** - Logging
+- **jsonschema** - Configuration validation
+- **graphviz** - Flowsheet diagram generation
+- **pandas** - Data manipulation
+- **openpyxl** - Excel report generation
+
+## License
+
+This project is licensed under the BSD 3-Clause License. See the [LICENSE](LICENSE) file for details.
+
+For licensing inquiries, please [contact the development](https://forms.gle/wUweVnoSqA9VeD7m9) team.

processforge-0.1.0/flowsheets/archive/example_dynamic_hybrid.json

@@ -0,0 +1,41 @@
+{
+  "streams": {
+    "feed": {
+      "T": 300,
+      "P": 101325,
+      "z": {"Methane": 0.7, "Ethane": 0.3},
+      "flowrate": 2.0
+    }
+  },
+  "units": {
+    "tank1": {
+      "type": "Tank",
+      "inlet": "feed",
+      "outlet_flow": 1.5,
+      "initial_n": {"Methane": 1.0, "Ethane": 1.0},
+      "initial_T": 300,
+      "P": 101325,
+      "duty": 100.0
+    },
+    "heater": {
+      "type": "Heater",
+      "in": "tank1",
+      "out": "hot",
+      "duty": 5000.0,
+      "flowrate": 1.5
+    },
+    "flash": {
+      "type": "Flash",
+      "in": "hot",
+      "out_vap": "vap",
+      "out_liq": "liq",
+      "P": 101325
+    }
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 20.0,
+    "dt": 1.0
+  }
+}

processforge-0.1.0/flowsheets/archive/example_dynamic_tank.json

@@ -0,0 +1,50 @@
+{
+  "streams": {
+    "feed": {
+      "T": 300,
+      "P": 101325,
+      "z": {"Methane": 0.7, "Ethane": 0.3},
+      "flowrate": 2.0
+    }
+  },
+  "units": {
+    "tank1": {
+      "type": "Tank",
+      "inlet": "feed",
+      "outlet_flow": 1.5,
+      "initial_n": {"Methane": 1.0, "Ethane": 1.0},
+      "initial_T": 300,
+      "P": 101325,
+      "duty": 100.0
+    },
+    "tank2": {
+      "type": "Tank",
+      "inlet": "tank1",
+      "outlet_flow": 1.0,
+      "initial_n": {"Methane": 0.5, "Ethane": 0.5},
+      "initial_T": 300,
+      "P": 101325,
+      "duty": 50.0
+    },
+    "heater": {
+      "type": "Heater",
+      "in": "tank2",
+      "out": "hot",
+      "duty": 5000.0,
+      "flowrate": 1.0
+    },
+    "flash": {
+      "type": "Flash",
+      "in": "hot",
+      "out_vap": "vap",
+      "out_liq": "liq",
+      "P": 101325
+    }
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 20.0,
+    "dt": 1.0
+  }
+}

processforge-0.1.0/flowsheets/archive/example_flash.json

@@ -0,0 +1,25 @@
+{
+  "streams": {
+    "feed": {
+      "T": 300,
+      "P": 101325,
+      "z": {"Methane": 0.5, "Ethane": 0.5}
+    }
+  },
+  "units": {
+    "heater": {
+      "type": "Heater",
+      "in": "feed",
+      "out": "hot",
+      "duty": 20000,
+      "flowrate": 1.0
+    },
+    "flash": {
+      "type": "Flash",
+      "in": "hot",
+      "out_vap": "vap",
+      "out_liq": "liq",
+      "P": 101325
+    }
+  }
+}

processforge-0.1.0/flowsheets/archive/hydraulic_chain.json

@@ -0,0 +1,93 @@
+{
+  "metadata": {
+    "name": "Hydraulic Chain Example",
+    "description": "Base configuration for a two-pump, one-valve, one-strainer hydraulic system.",
+    "version": "1.0"
+  },
+  "streams": {
+    "feed": {
+      "T": 198.15,
+      "P": 101325,
+      "z": {
+        "Water": 0.8,
+        "Toluene": 0.2
+      },
+      "flowrate": 1.0
+    }
+  },
+  "units": {
+    "pump_1": {
+      "type": "Pump",
+      "in": "feed",
+      "out": "after_pump_1",
+      "deltaP": 200000.0,
+      "efficiency": 0.75
+    },
+    "pipe_1": {
+      "type": "Pipes",
+      "in": "after_pump_1",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.05
+    },
+    "valve_1": {
+      "type": "Valve",
+      "in": "after_pipe_1",
+      "out": "after_valve_1",
+      "pressure_ratio": 0.5
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.08
+    },
+    "strainer_1": {
+      "type": "Strainer",
+      "in": "after_pipe_2",
+      "out": "after_strainer_1",
+      "deltaP": 5000.0
+    },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.1
+    },
+    "pump_2": {
+      "type": "Pump",
+      "in": "after_pipe_3",
+      "out": "after_pump_2",
+      "deltaP": 300000.0,
+      "efficiency": 0.8
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_pump_2",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.12
+    },
+    "tank_1": {
+      "type": "Tank",
+      "in": "after_pipe_4",
+      "out": "product",
+      "outlet_flow": 1.0,
+      "initial_n": {
+        "Water": 9.0,
+        "Toluene": 1.0
+      },
+      "initial_T": 298.15,
+      "P": 101325,
+      "duty": 0.0
+    }
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 20.0,
+    "dt": 
+  }
+}