cfdtwin 0.1.0__tar.gz

cfdtwin-0.1.0/.github/workflows/ci.yml

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+name: CI
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    branches: [master]
+
+jobs:
+  unit-tests:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.10", "3.11", "3.12"]
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: pip
+
+      - name: Install Qt system libs
+        # pytest-qt (in our dev extra) auto-imports PySide6 at session
+        # start. The bare ubuntu-latest runner has no libEGL/libGL/xcb,
+        # so plugin load INTERNALERRORs before any test runs.
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y libegl1 libgl1 libxkbcommon0 libdbus-1-3 \
+            libxcb-cursor0 libxcb-icccm4 libxcb-image0 libxcb-keysyms1 \
+            libxcb-randr0 libxcb-render-util0 libxcb-shape0 libxcb-xinerama0 \
+            libxcb-xkb1 libfontconfig1
+
+      - name: Install package and dev dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e ".[dev]"
+
+      - name: Run unit tests
+        env:
+          QT_QPA_PLATFORM: offscreen     # headless runner
+        run: pytest tests/unit -v

cfdtwin-0.1.0/.github/workflows/docs.yml

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+name: Build & deploy docs
+
+on:
+  push:
+    branches: [master]
+
+permissions:
+  contents: write   # mkdocs gh-deploy pushes to gh-pages branch
+
+jobs:
+  deploy-docs:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0   # full history needed for mkdocs gh-deploy
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+          cache: pip
+
+      - name: Install docs dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install mkdocs mkdocs-material "mkdocstrings[python]"
+          pip install -e .
+
+      - name: Deploy
+        run: mkdocs gh-deploy --force

cfdtwin-0.1.0/.github/workflows/publish.yml

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+name: Publish to PyPI
+
+on:
+  push:
+    tags: ["v*"]            # tagging vX.Y.Z triggers a release
+
+jobs:
+  publish:
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/cfdtwin
+    permissions:
+      id-token: write       # required for PyPI Trusted Publishing
+    steps:
+      - uses: actions/checkout@v4
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Build wheel + sdist
+        run: |
+          python -m pip install --upgrade pip build
+          python -m build
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1

cfdtwin-0.1.0/.gitignore

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+# Temporary and cache files
+*.trn
+.claude/
+*.bat
+*.log
+nul
+
+# Python cache
+__pycache__/
+.pytest_cache/
+/Field Surrogate/__pycache__/
+/Field Surrogate/modules/__pycache__/
+/Volume Surrogate/__pycache__/
+/Volume Surrogate/modules/__pycache__/
+/Scalar Surrogate/cache/
+
+# Data and output files
+# Images
+*.png
+# ...but keep the brand logos: needed by the GUI at runtime, by the README
+# on GitHub/PyPI, and by the docs site.
+!gui/assets/*.png
+!docs/assets/*.png
+
+# Model files (ignore H5 Keras models but allow NPZ inside dataset folders)
+*.h5
+
+# Dataset output folders (contains NPZ files, trained models, and visualizations)
+/Field Surrogate/field_surrogate_*/
+/Volume Surrogate/volume_surrogate_*/
+/Volume Surrogate/test_volume_data.npz
+/Volume Surrogate/test_volume_temperature_3d.png
+
+# Documentation
+/Field Surrogate/context.md
+/Volume Surrogate/context.md
+
+#python scripts
+visualize_pod.py
+
+# Project data (kept out of git)
+Testing/
+tests/
+validations/
+
+# Personal scratch notes (kept locally)
+BACKLOG.md
+
+# Built docs site (regenerated by GitHub Actions)
+site/
+
+# Build artifacts
+*.egg-info/
+build/
+dist/
+
+# SolidWorks lock files
+**/~$*
+
+# User settings + runtime logs
+gui/user_settings.json
+gui/cfdtwin.log*
+gui/cfdtwin_fault.log*

cfdtwin-0.1.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 UARK-NED3
+
+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.

cfdtwin-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: cfdtwin
+Version: 0.1.0
+Summary: Neural-network surrogate models for ANSYS Fluent simulations.
+Project-URL: Homepage, https://github.com/UARK-NED3/CFDTwin
+Project-URL: Issues, https://github.com/UARK-NED3/CFDTwin/issues
+Author-email: Danny Curl <dannycurl02@gmail.com>
+License: MIT
+License-File: LICENSE
+Classifier: Development Status :: 3 - Alpha
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Topic :: Scientific/Engineering
+Requires-Python: >=3.10
+Requires-Dist: ansys-fluent-core
+Requires-Dist: matplotlib
+Requires-Dist: numpy
+Requires-Dist: pyside6
+Requires-Dist: scikit-learn
+Requires-Dist: scipy
+Requires-Dist: tensorflow<2.21,>=2.20
+Provides-Extra: dev
+Requires-Dist: pytest; extra == 'dev'
+Requires-Dist: pytest-qt; extra == 'dev'
+Description-Content-Type: text/markdown
+
+<p align="center">
+  <img src="docs/assets/logo_wordmark.png" alt="CFDTwin" width="420"/>
+</p>
+
+Build neural-network surrogate models from ANSYS Fluent simulations.
+Two ways to drive the same pipeline:
+
+- **GUI** — wizard-based desktop app, click through Setup → DOE → Simulate → Train → Analyze.
+- **API** — Python library, the same pipeline as ten method calls in a script.
+
+**Docs:** https://uark-ned3.github.io/CFDTwin/
+**GUI walkthrough (video):** _coming soon_
+
+## Install
+
+Requires Python 3.10+ and a working ANSYS Fluent installation.
+
+```
+pip install cfdtwin                  # from PyPI (released)
+pip install -e .[dev]                # from a clone, with test deps
+```
+
+## Use the GUI
+
+Three ways to launch, pick whichever you prefer:
+
+```
+cfdtwin-gui                          # any terminal, after pip install
+python -m gui                        # from a repo clone, no install needed
+double-click scripts/launch_gui.bat  # Windows, no terminal pops up
+```
+
+To put a launcher on your Desktop (Windows): right-click `scripts/launch_gui.bat`,
+**Copy**, then right-click your Desktop and **Paste shortcut**. Optionally
+right-click the shortcut → Properties → Change Icon → browse to
+`gui/assets/logo_icon.png` for the CFDTwin logo.
+
+On launch, select or create a project. The sidebar steps unlock as prerequisites are met:
+
+1. **Setup** — pick `.cas` file, set Fluent options, define inputs and outputs
+2. **DOE** — generate LHS/factorial samples
+3. **Simulate** — batch-run Fluent with live progress
+4. **Train** — transfer-list filter, live loss curves, per-output NN
+5. **Analyze** — metrics dashboard, predictions, Fluent comparison with caching
+
+## Use the API
+
+Same pipeline from a Python script — useful for automation, parameter sweeps,
+or building bigger surrogate libraries:
+
+```python
+import cfdtwin
+
+project = cfdtwin.Project.create("./elbow_study", name="elbow_v1")
+project.set_case_file("mixing_elbow.cas.h5")
+
+project.set_inputs({
+    "cold-inlet|momentum > velocity_magnitude": (0.2, 0.6),
+    "hot-inlet|momentum > velocity_magnitude":  (0.4, 1.2),
+})
+project.set_outputs([
+    {"name": "outlet", "category": "Surface",
+     "field_variables": ["temperature"]},
+])
+
+project.generate_doe(n=20, method="lhs")
+project.connect_fluent(precision="single")    # mixing_elbow is a single-precision case
+project.run_simulations()
+project.train(model_name="run1")
+
+pred = project.predict("run1", {
+    "cold-inlet|momentum > velocity_magnitude": 0.4,
+    "hot-inlet|momentum > velocity_magnitude":  0.8,
+})
+print(pred.values.shape)
+```
+
+Runnable scripts live in [`docs/examples/`](docs/examples/) — quickstart,
+full workflow, training tuning, and a "what BCs / parameters does my case
+expose?" discovery script.
+
+- [API reference](https://uark-ned3.github.io/CFDTwin/api/project/) — every method, every argument
+- [Tutorials](https://uark-ned3.github.io/CFDTwin/tutorials/full_workflow/) — narrative walk-throughs
+- [Quickstart](https://uark-ned3.github.io/CFDTwin/quickstart/) — smallest end-to-end script
+
+## License
+
+MIT — see [LICENSE](LICENSE).

cfdtwin-0.1.0/README.md

@@ -0,0 +1,88 @@
+<p align="center">
+  <img src="docs/assets/logo_wordmark.png" alt="CFDTwin" width="420"/>
+</p>
+
+Build neural-network surrogate models from ANSYS Fluent simulations.
+Two ways to drive the same pipeline:
+
+- **GUI** — wizard-based desktop app, click through Setup → DOE → Simulate → Train → Analyze.
+- **API** — Python library, the same pipeline as ten method calls in a script.
+
+**Docs:** https://uark-ned3.github.io/CFDTwin/
+**GUI walkthrough (video):** _coming soon_
+
+## Install
+
+Requires Python 3.10+ and a working ANSYS Fluent installation.
+
+```
+pip install cfdtwin                  # from PyPI (released)
+pip install -e .[dev]                # from a clone, with test deps
+```
+
+## Use the GUI
+
+Three ways to launch, pick whichever you prefer:
+
+```
+cfdtwin-gui                          # any terminal, after pip install
+python -m gui                        # from a repo clone, no install needed
+double-click scripts/launch_gui.bat  # Windows, no terminal pops up
+```
+
+To put a launcher on your Desktop (Windows): right-click `scripts/launch_gui.bat`,
+**Copy**, then right-click your Desktop and **Paste shortcut**. Optionally
+right-click the shortcut → Properties → Change Icon → browse to
+`gui/assets/logo_icon.png` for the CFDTwin logo.
+
+On launch, select or create a project. The sidebar steps unlock as prerequisites are met:
+
+1. **Setup** — pick `.cas` file, set Fluent options, define inputs and outputs
+2. **DOE** — generate LHS/factorial samples
+3. **Simulate** — batch-run Fluent with live progress
+4. **Train** — transfer-list filter, live loss curves, per-output NN
+5. **Analyze** — metrics dashboard, predictions, Fluent comparison with caching
+
+## Use the API
+
+Same pipeline from a Python script — useful for automation, parameter sweeps,
+or building bigger surrogate libraries:
+
+```python
+import cfdtwin
+
+project = cfdtwin.Project.create("./elbow_study", name="elbow_v1")
+project.set_case_file("mixing_elbow.cas.h5")
+
+project.set_inputs({
+    "cold-inlet|momentum > velocity_magnitude": (0.2, 0.6),
+    "hot-inlet|momentum > velocity_magnitude":  (0.4, 1.2),
+})
+project.set_outputs([
+    {"name": "outlet", "category": "Surface",
+     "field_variables": ["temperature"]},
+])
+
+project.generate_doe(n=20, method="lhs")
+project.connect_fluent(precision="single")    # mixing_elbow is a single-precision case
+project.run_simulations()
+project.train(model_name="run1")
+
+pred = project.predict("run1", {
+    "cold-inlet|momentum > velocity_magnitude": 0.4,
+    "hot-inlet|momentum > velocity_magnitude":  0.8,
+})
+print(pred.values.shape)
+```
+
+Runnable scripts live in [`docs/examples/`](docs/examples/) — quickstart,
+full workflow, training tuning, and a "what BCs / parameters does my case
+expose?" discovery script.
+
+- [API reference](https://uark-ned3.github.io/CFDTwin/api/project/) — every method, every argument
+- [Tutorials](https://uark-ned3.github.io/CFDTwin/tutorials/full_workflow/) — narrative walk-throughs
+- [Quickstart](https://uark-ned3.github.io/CFDTwin/quickstart/) — smallest end-to-end script
+
+## License
+
+MIT — see [LICENSE](LICENSE).

cfdtwin-0.1.0/cfdtwin/__init__.py

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+"""cfdtwin — neural-network surrogate models for ANSYS Fluent simulations.
+
+The public surface is intentionally small. Build a Project, then call its
+methods. Result classes are exported for type hints and isinstance checks.
+
+    import cfdtwin
+
+    project = cfdtwin.Project.open("path/to/project")
+    project.set_inputs({"inlet|velocity": (0.1, 1.0)})
+    project.set_outputs([{"name": "outlet_temp", "category": "Report Definition"}])
+    project.generate_doe(n=50)
+    project.run_simulations()
+    result = project.train(model_name="my_run")
+    print(result.summary())
+
+Lower-level modules (cfdtwin.doe, cfdtwin.training, cfdtwin.simulation, ...)
+are public for power users who want fine-grained access.
+"""
+
+from cfdtwin.project import Project
+from cfdtwin.results import (
+    Metrics,
+    ModelInfo,
+    PredictionResult,
+    SimulationResult,
+    TrainingResult,
+)
+
+__version__ = "0.1.0"
+
+__all__ = [
+    "Project",
+    "Metrics",
+    "ModelInfo",
+    "PredictionResult",
+    "SimulationResult",
+    "TrainingResult",
+    "__version__",
+]

cfdtwin-0.1.0/cfdtwin/_project_manager.py

@@ -0,0 +1,199 @@
+"""
+Project Manager Module
+======================
+Queries Fluent for available inputs/outputs. No UI -- returns data for GUI to display.
+"""
+
+import logging
+import re
+
+logger = logging.getLogger(__name__)
+
+
+# Regex for the value/unit format Fluent stores named-expression definitions in.
+# Matches "1.5 [m/s]", "300[K]", "  -2.3 [degC]  ", etc.
+_DEFINITION_RE = re.compile(
+    r"^\s*([+-]?\d*\.?\d+(?:[eE][+-]?\d+)?)\s*\[([^\]]+)\]\s*$"
+)
+
+
+def _parse_definition(definition):
+    """Parse a named-expression definition string into (value, unit_str).
+
+    Returns (None, None) if it doesn't match the simple "<number> [<unit>]"
+    shape — i.e. the expression is a formula, not a scalar input."""
+    if not isinstance(definition, str):
+        return None, None
+    m = _DEFINITION_RE.match(definition)
+    if not m:
+        return None, None
+    try:
+        return float(m.group(1)), m.group(2)
+    except ValueError:
+        return None, None
+
+
+def get_available_inputs(solver):
+    """
+    Query Fluent for available boundary conditions and input parameters
+    (Fluent named expressions flagged as input_parameter).
+
+    Cell zones are deliberately excluded — they don't expose anything cfdtwin
+    can vary as a DOE input.
+
+    Returns
+    -------
+    list of dict
+        Each dict has keys: name, type, category. Input-parameter entries
+        additionally carry: unit (str, e.g. "m/s"), current_value (float),
+        definition (the raw "<value> [<unit>]" string).
+    """
+    items = []
+
+    # Boundary conditions
+    try:
+        boundary_conditions = solver.settings.setup.boundary_conditions
+        for bc_type in dir(boundary_conditions):
+            if bc_type.startswith('_') or bc_type in ['child_names', 'command_names']:
+                continue
+            bc_obj = getattr(boundary_conditions, bc_type)
+            if hasattr(bc_obj, '__iter__') and not isinstance(bc_obj, str):
+                try:
+                    for name in bc_obj:
+                        if name not in ['child_names', 'command_names']:
+                            items.append({
+                                'name': name,
+                                'type': bc_type.replace('_', ' ').title(),
+                                'category': 'Boundary Condition'
+                            })
+                except Exception:
+                    pass
+    except Exception as e:
+        logger.warning(f"Error loading boundary conditions: {e}")
+
+    # Input parameters (Fluent named expressions with input_parameter=True).
+    # These have a "<value> [<unit>]" definition we can parse and re-write at
+    # DOE time, which is cleaner than navigating the BC settings tree.
+    try:
+        named_exprs = solver.settings.setup.named_expressions
+        for expr_name in named_exprs:
+            if expr_name in ['child_names', 'command_names']:
+                continue
+            try:
+                state = named_exprs[expr_name].get_state()
+            except Exception:
+                continue
+            if not state.get('input_parameter'):
+                continue
+            value, unit = _parse_definition(state.get('definition', ''))
+            if value is None:
+                # Skip formula-style inputs we can't safely re-write as scalars.
+                logger.info(
+                    f"Skipping named expression '{expr_name}': "
+                    f"definition {state.get('definition')!r} is not a scalar value."
+                )
+                continue
+            items.append({
+                'name': expr_name,
+                'type': 'Input Parameter',
+                'category': 'Input Parameter',
+                'unit': unit,
+                'current_value': value,
+                'definition': state.get('definition', ''),
+            })
+    except Exception as e:
+        logger.warning(f"Error loading input parameters: {e}")
+
+    return items
+
+
+def get_available_outputs(solver):
+    """
+    Query Fluent for available surfaces, cell zones, and report definitions that can be outputs.
+
+    Returns
+    -------
+    list of dict
+        Each dict has keys: name, type, category
+    """
+    items = []
+
+    # Surfaces (from boundary conditions)
+    try:
+        boundary_conditions = solver.settings.setup.boundary_conditions
+        for bc_type in dir(boundary_conditions):
+            if bc_type.startswith('_') or bc_type in ['child_names', 'command_names']:
+                continue
+            bc_obj = getattr(boundary_conditions, bc_type)
+            if hasattr(bc_obj, '__iter__') and not isinstance(bc_obj, str):
+                try:
+                    for name in bc_obj:
+                        if name not in ['child_names', 'command_names']:
+                            items.append({
+                                'name': name,
+                                'type': bc_type.replace('_', ' ').title(),
+                                'category': 'Surface'
+                            })
+                except Exception:
+                    pass
+
+        # Created surfaces (planes, iso-surfaces, etc.)
+        try:
+            if hasattr(solver, 'fields') and hasattr(solver.fields, 'field_data'):
+                all_surface_names = solver.fields.field_data.surfaces.allowed_values()
+                for surf_name in all_surface_names:
+                    if not any(s['name'] == surf_name for s in items):
+                        items.append({
+                            'name': surf_name,
+                            'type': 'Created Surface',
+                            'category': 'Surface'
+                        })
+        except Exception:
+            pass
+    except Exception as e:
+        logger.warning(f"Error loading surfaces: {e}")
+
+    # Cell zones
+    try:
+        cell_zones_obj = solver.settings.setup.cell_zone_conditions
+        for zone_type in dir(cell_zones_obj):
+            if zone_type.startswith('_') or zone_type in ['child_names', 'command_names']:
+                continue
+            zone_obj = getattr(cell_zones_obj, zone_type)
+            if hasattr(zone_obj, '__iter__') and not isinstance(zone_obj, str):
+                try:
+                    for name in zone_obj:
+                        if name not in ['child_names', 'command_names']:
+                            items.append({
+                                'name': name,
+                                'type': zone_type.replace('_', ' ').title(),
+                                'category': 'Cell Zone'
+                            })
+                except Exception:
+                    pass
+    except Exception as e:
+        logger.warning(f"Error loading cell zones: {e}")
+
+    # Report definitions
+    try:
+        report_defs_obj = solver.settings.solution.report_definitions
+        report_types = ['surface', 'volume', 'flux', 'force', 'lift', 'drag',
+                        'moment', 'expression', 'user_defined']
+        for report_type in report_types:
+            if hasattr(report_defs_obj, report_type):
+                report_obj = getattr(report_defs_obj, report_type)
+                if hasattr(report_obj, '__iter__') and not isinstance(report_obj, str):
+                    try:
+                        for name in report_obj:
+                            if name not in ['child_names', 'command_names']:
+                                items.append({
+                                    'name': name,
+                                    'type': report_type.replace('_', ' ').title(),
+                                    'category': 'Report Definition'
+                                })
+                    except Exception:
+                        pass
+    except Exception as e:
+        logger.warning(f"Error loading report definitions: {e}")
+
+    return items