Merge pull request #342 from equinor/improve-process-builder

improve process builder

Author: EvenSol

examples/jupyter/examplesInPython.ipynb

@@ -550,6 +550,125 @@
     "fluid1.initPhysicalProperties()\n",
     "print(\"thermal conductivity \", fluid1.getPhase(\"oil\").getThermalConductivity('W/mK'))"
    ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Create Process from YAML Configuration\n",
+    "\n",
+    "The `create_process_from_config()` function allows you to build complete process simulations from YAML files. This is ideal for:\n",
+    "- Separating process configuration from code\n",
+    "- Version-controlling process designs\n",
+    "- Quickly modifying process parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Example: Create a process from a YAML configuration string\n",
+    "# (In practice, you'd typically load this from a file)\n",
+    "\n",
+    "yaml_config = \"\"\"\n",
+    "name: Gas Compression Example\n",
+    "\n",
+    "fluids:\n",
+    "  natural_gas:\n",
+    "    model: srk\n",
+    "    temperature: 303.15\n",
+    "    pressure: 10.0\n",
+    "    components:\n",
+    "      - name: methane\n",
+    "        moles: 0.90\n",
+    "      - name: ethane\n",
+    "        moles: 0.05\n",
+    "      - name: propane\n",
+    "        moles: 0.03\n",
+    "      - name: n-butane\n",
+    "        moles: 0.02\n",
+    "\n",
+    "equipment:\n",
+    "  - type: stream\n",
+    "    name: inlet\n",
+    "    fluid: natural_gas\n",
+    "    temperature: 303.15\n",
+    "    pressure: 10.0\n",
+    "    flow_rate: 5.0\n",
+    "    flow_unit: MSm3/day\n",
+    "\n",
+    "  - type: separator\n",
+    "    name: inlet_sep\n",
+    "    inlet: inlet\n",
+    "\n",
+    "  - type: compressor\n",
+    "    name: comp1\n",
+    "    inlet: inlet_sep.gas\n",
+    "    pressure: 50.0\n",
+    "\n",
+    "  - type: cooler\n",
+    "    name: cooler1\n",
+    "    inlet: comp1\n",
+    "    temperature: 303.15\n",
+    "\n",
+    "  - type: splitter\n",
+    "    name: splitter1\n",
+    "    inlet: cooler1\n",
+    "    split_factors: [0.8, 0.2]\n",
+    "\"\"\"\n",
+    "\n",
+    "# Parse YAML and create process\n",
+    "import yaml\n",
+    "from neqsim.process import create_process_from_config\n",
+    "\n",
+    "config = yaml.safe_load(yaml_config)\n",
+    "process = create_process_from_config(config)\n",
+    "\n",
+    "# Display results\n",
+    "print(\"=== Process Results ===\")\n",
+    "print(f\"Compressor power: {process.get('comp1').getPower()/1e6:.2f} MW\")\n",
+    "print(f\"Cooler duty: {process.get('cooler1').getDuty()/1e6:.2f} MW\")\n",
+    "\n",
+    "# Get results as DataFrame\n",
+    "df = process.results_dataframe()\n",
+    "print(\"\\n=== Stream Summary ===\")\n",
+    "print(df.head(10))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Example: Create fluid from configuration\n",
+    "from neqsim.process import create_fluid_from_config\n",
+    "from neqsim.thermo import TPflash, dataFrame\n",
+    "\n",
+    "# Create a custom fluid from config\n",
+    "fluid_config = {\n",
+    "    'model': 'cpa',  # Use CPA for polar components\n",
+    "    'temperature': 298.15,\n",
+    "    'pressure': 1.0,\n",
+    "    'components': [\n",
+    "        {'name': 'methane', 'moles': 0.80},\n",
+    "        {'name': 'CO2', 'moles': 0.10},\n",
+    "        {'name': 'water', 'moles': 0.05},\n",
+    "        {'name': 'MEG', 'moles': 0.05}\n",
+    "    ],\n",
+    "    'multiphase': True\n",
+    "}\n",
+    "\n",
+    "fluid = create_fluid_from_config(fluid_config)\n",
+    "fluid.setTemperature(300.0)\n",
+    "fluid.setPressure(50.0)\n",
+    "TPflash(fluid)\n",
+    "\n",
+    "print(\"=== Fluid Properties ===\")\n",
+    "print(dataFrame(fluid))"
+   ]
   }
  ],
  "metadata": {
@@ -568,7 +687,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.10.16"
+   "version": "3.11.6"
   }
  },
  "nbformat": 4,