Wall node with FESTIM

mwe.py

@@ -0,0 +1,32 @@
+from src.custom_pathsim_blocks import FestimWall
+
+from pathsim import Simulation, Connection
+import pathsim.blocks
+import numpy as np
+import matplotlib.pyplot as plt
+
+
+# Create blocks
+blocks, events = [], []
+
+# Create Festim wall
+festim_wall = FestimWall(thickness=1, D_0=1, E_D=0, temperature=300, n_vertices=100)
+source_c0 = pathsim.blocks.Constant(0)
+source_cL = pathsim.blocks.Constant(1)
+
+scope = pathsim.blocks.Scope(labels=["flux_0", "flux_L"])
+
+blocks = [festim_wall, source_c0, source_cL, scope]
+
+connections = [
+    Connection(source_c0, festim_wall[0]),
+    Connection(source_cL, festim_wall[1]),
+    Connection(festim_wall[0], scope[0]),
+    Connection(festim_wall[1], scope[1]),
+]
+
+simulation = Simulation(blocks=blocks, connections=connections, dt=0.005)
+simulation.run(0.1)
+
+scope.plot(marker="o")
+plt.show()

saved_graphs/festim_example.json

@@ -0,0 +1,208 @@
+{
+  "nodes": [
+    {
+      "id": "4",
+      "type": "constant",
+      "position": {
+        "x": 1093.1885987981248,
+        "y": 271.20138523630243
+      },
+      "data": {
+        "label": "cL",
+        "value": "0"
+      },
+      "measured": {
+        "width": 205,
+        "height": 53
+      },
+      "selected": false,
+      "dragging": false
+    },
+    {
+      "id": "5",
+      "type": "scope",
+      "position": {
+        "x": 1271,
+        "y": 457
+      },
+      "data": {
+        "label": "scope 5"
+      },
+      "measured": {
+        "width": 120,
+        "height": 140
+      },
+      "selected": false,
+      "dragging": false
+    },
+    {
+      "id": "9",
+      "type": "scope",
+      "position": {
+        "x": 967.9637725351604,
+        "y": 81.60628755860085
+      },
+      "data": {
+        "label": "scope 9"
+      },
+      "measured": {
+        "width": 120,
+        "height": 140
+      },
+      "selected": false,
+      "dragging": false
+    },
+    {
+      "id": "10",
+      "type": "stepsource",
+      "position": {
+        "x": 589,
+        "y": 224
+      },
+      "data": {
+        "label": "stepsource 10",
+        "amplitude": "1",
+        "delay": "0.2"
+      },
+      "measured": {
+        "width": 120,
+        "height": 120
+      },
+      "selected": false,
+      "dragging": false
+    },
+    {
+      "id": "12",
+      "type": "wall",
+      "position": {
+        "x": 952,
+        "y": 417
+      },
+      "data": {
+        "label": "wall",
+        "thickness": "1",
+        "surface_area": "1",
+        "temperature": "300",
+        "D_0": "0.05",
+        "E_D": "0",
+        "n_vertices": "100"
+      },
+      "measured": {
+        "width": 70,
+        "height": 200
+      },
+      "selected": true,
+      "dragging": false
+    }
+  ],
+  "edges": [
+    {
+      "id": "e4-9",
+      "source": "4",
+      "target": "9",
+      "sourceHandle": null,
+      "targetHandle": null,
+      "type": "smoothstep",
+      "data": {},
+      "style": {
+        "strokeWidth": 2,
+        "stroke": "#ECDFCC"
+      },
+      "markerEnd": {
+        "type": "arrowclosed",
+        "width": 20,
+        "height": 20,
+        "color": "#ECDFCC"
+      }
+    },
+    {
+      "id": "e10-9",
+      "source": "10",
+      "target": "9",
+      "sourceHandle": null,
+      "targetHandle": null,
+      "type": "smoothstep",
+      "data": {},
+      "style": {
+        "strokeWidth": 2,
+        "stroke": "#ECDFCC"
+      },
+      "markerEnd": {
+        "type": "arrowclosed",
+        "width": 20,
+        "height": 20,
+        "color": "#ECDFCC"
+      }
+    },
+    {
+      "id": "e10-12-to_c_0",
+      "source": "10",
+      "target": "12",
+      "sourceHandle": null,
+      "targetHandle": "c_0",
+      "type": "smoothstep",
+      "data": {},
+      "style": {
+        "strokeWidth": 2,
+        "stroke": "#ECDFCC"
+      },
+      "markerEnd": {
+        "type": "arrowclosed",
+        "width": 20,
+        "height": 20,
+        "color": "#ECDFCC"
+      }
+    },
+    {
+      "id": "e4-12-to_c_L",
+      "source": "4",
+      "target": "12",
+      "sourceHandle": null,
+      "targetHandle": "c_L",
+      "type": "smoothstep",
+      "data": {},
+      "style": {
+        "strokeWidth": 2,
+        "stroke": "#ECDFCC"
+      },
+      "markerEnd": {
+        "type": "arrowclosed",
+        "width": 20,
+        "height": 20,
+        "color": "#ECDFCC"
+      }
+    },
+    {
+      "id": "e12-5-from_flux_L",
+      "source": "12",
+      "target": "5",
+      "sourceHandle": "flux_L",
+      "targetHandle": null,
+      "type": "smoothstep",
+      "data": {},
+      "style": {
+        "strokeWidth": 2,
+        "stroke": "#ECDFCC"
+      },
+      "markerEnd": {
+        "type": "arrowclosed",
+        "width": 20,
+        "height": 20,
+        "color": "#ECDFCC"
+      }
+    }
+  ],
+  "nodeCounter": 13,
+  "solverParams": {
+    "dt": "0.02",
+    "dt_min": "1e-6",
+    "dt_max": "1.0",
+    "Solver": "SSPRK22",
+    "tolerance_fpi": "1e-6",
+    "iterations_max": "100",
+    "log": "true",
+    "simulation_duration": "2",
+    "extra_params": "{}"
+  },
+  "globalVariables": []
+}

src/App.jsx

@@ -6,7 +6,7 @@
   Background,
   useNodesState,
   useEdgesState,
   addEdge,
 } from '@xyflow/react';
 import '@xyflow/react/dist/style.css';
 import './App.css';
@@ -29,6 +29,7 @@
 import MultiplierNode from './MultiplierNode';
 import { Splitter2Node, Splitter3Node } from './Splitters';
 import BubblerNode from './BubblerNode';
+import WallNode from './WallNode';
 
 // Add nodes as a node type for this script
 const nodeTypes = {
@@ -49,6 +50,7 @@
   pid: DefaultNode,
   splitter2: Splitter2Node,
   splitter3: Splitter3Node,
+  wall: WallNode,
   bubbler: BubblerNode,
   white_noise: SourceNode,
   pink_noise: SourceNode,
@@ -609,6 +611,9 @@
       case 'splitter3':
         nodeData = { ...nodeData, f1: '1/3', f2: '1/3', f3: '1/3' };
         break;
+      case 'wall':
+        nodeData = { ...nodeData, thickness: '', surface_area: '1', temperature: '', D_0: '1', E_D: '0', n_vertices: '100' };
+        break;
       case 'bubbler':
         nodeData = { ...nodeData, conversion_efficiency: '0.95', vial_efficiency: '0.9', replacement_times: '' };
         break;
@@ -778,7 +783,7 @@
     return () => {
       document.removeEventListener('keydown', handleKeyDown);
     };
   }, [selectedEdge, selectedNode, copiedNode, duplicateNode, setCopyFeedback]);
 
   return (
     <div style={{ width: '100vw', height: '100vh', position: 'relative' }}>

src/WallNode.jsx

@@ -0,0 +1,68 @@
+import React from 'react';
+import { Handle } from '@xyflow/react';
+
+export default function WallNode({ data }) {
+  return (
+    <div
+      style={{
+        width: 50,
+        height: 180,
+        background: '#DDE6ED',
+        color: 'black',
+        borderRadius: 0,
+        padding: 10,
+        fontWeight: 'bold',
+        position: 'relative',
+        cursor: 'pointer',
+      }}
+    >
+      <div style={{ marginBottom: 4 }}>{data.label}</div>
+
+      {/* Left side handles with labels */}
+      <Handle type="target" id="c_0" position="left" style={{ background: '#555', top: '40%' }} />
+      <div style={{ 
+        position: 'absolute', 
+        left: '5px', 
+        top: '35%', 
+        fontSize: '12px',
+        fontWeight: 'normal'
+      }}>
+        c₀
+      </div>
+
+      <Handle type="source" id="flux_0" position="left" style={{ background: '#555', top: '60%' }} />
+      <div style={{ 
+        position: 'absolute', 
+        left: '5px', 
+        top: '55%', 
+        fontSize: '12px',
+        fontWeight: 'normal'
+      }}>
+        φ₀
+      </div>
+
+      {/* Right side handles with labels */}
+      <Handle type="target" id="c_L" position="right" style={{ background: '#555', top: '40%' }} />
+      <div style={{ 
+        position: 'absolute', 
+        right: '5px', 
+        top: '35%', 
+        fontSize: '12px',
+        fontWeight: 'normal'
+      }}>
+        cₗ
+      </div>
+
+      <Handle type="source" id="flux_L" position="right" style={{ background: '#555', top: '60%' }} />
+      <div style={{ 
+        position: 'absolute', 
+        right: '5px', 
+        top: '55%', 
+        fontSize: '12px',
+        fontWeight: 'normal'
+      }}>
+        φₗ
+      </div>
+    </div>
+  );
+}

src/convert_to_python.py

@@ -3,11 +3,7 @@
 from inspect import signature
 
 from pathsim.blocks import Scope
-from .custom_pathsim_blocks import (
-    Process,
-    Splitter,
-    Bubbler,
-)
+from .custom_pathsim_blocks import Process, Splitter, Bubbler, FestimWall
 from .pathsim_utils import (
     map_str_to_object,
     make_blocks,
@@ -162,11 +158,29 @@ def make_edge_data(data: dict) -> list[dict]:
                     raise ValueError(
                         f"Invalid source handle '{edge['sourceHandle']}' for {edge}."
                     )
+            elif isinstance(block, FestimWall):
+                if edge["sourceHandle"] == "flux_0":
+                    output_index = 0
+                elif edge["sourceHandle"] == "flux_L":
+                    output_index = 1
+                else:
+                    raise ValueError(
+                        f"Invalid source handle '{edge['sourceHandle']}' for {edge}."
+                    )
             else:
                 output_index = 0
 
             if isinstance(target_block, Scope):
                 input_index = target_block._connections_order.index(edge["id"])
+            elif isinstance(target_block, FestimWall):
+                if edge["targetHandle"] == "c_0":
+                    input_index = 0
+                elif edge["targetHandle"] == "c_L":
+                    input_index = 1
+                else:
+                    raise ValueError(
+                        f"Invalid target handle '{edge['targetHandle']}' for {edge}."
+                    )
             else:
                 input_index = block_to_input_index[target_block]