m6

2024-06-21 23:50:03 +08:00
commit a9dd3e70e2
11 changed files with 515 additions and 0 deletions
--- a/tests/AtomSoupTest.cs
+++ b/tests/AtomSoupTest.cs
@@ -0,0 +1,80 @@
+using System;
+using System.Linq;
+using VirtualChemistry.Chemistry.Atoms.Implements;
+using VirtualChemistry.Chemistry.Atoms.Resolver;
+using VirtualChemistry.Chemistry.Compounds.Implements;
+using VirtualChemistry.Chemistry.Containers;
+using VirtualChemistry.Chemistry.Mixtures.Implements;
+using VirtualChemistry.Constants;
+
+namespace VirtualChemistryTest;
+
+public static class AtomSoupTest
+{
+    private static BaseAtom[] AllAtoms() => 
+        ChemistryConstant.ElementSymbols.Select(AtomResolver.Resolve).ToArray();
+    private class Container : IChemicalContainer
+    {
+        public Container(HeterogeneousMixture h) => Content = h;
+        public double Volume() => 200;
+        public HeterogeneousMixture Content { get; set; }
+        public double EnvironmentPressure { get; set; }
+        public double EnvironmentTemperature { get; set; }
+    }
+    [Test]
+    public static void AtomSoupTest1()
+    {
+        HeterogeneousMixture h = new ();
+        h.Container = new Container(h);
+        HomogeneousMixture m = new();
+        h.AddLayer(m);
+        foreach (BaseAtom a in AllAtoms())
+        {
+            Compound c = a.GrabCompound;
+            a.Compound = c;
+            c.Amount = 1;
+            m.AddCompound(c);
+        }
+        m.Volume = m.FreeVolume;
+        h.Container.EnvironmentTemperature = 4.4;
+        for (int i = 1; i < 50; i++)
+            h.OneStep();
+        Console.WriteLine($"{h.Layers.Count}   {h.Layers.Sum(x => x.Volume)} --- {h.FreeVolume}");
+        foreach (HomogeneousMixture mx in h.Layers)
+        {
+            Console.WriteLine($"{mx.Temperature} ====={mx.FreeVolume}==={mx.Density}={mx.Volume}={mx.CompressionStiffness}");
+            foreach (Compound cx in mx.Compounds)
+            {
+                var b = cx.Atoms.First().NextUnconnected("m");
+                Console.WriteLine($"{cx.Expression}\t\tAMT:{cx.Amount}\t\tRes:{mx.Resolvability(cx)}\t\tE:{b.Energy}");
+            }
+        }
+        m.RPC();
+    }
+    [Test]
+    public static void SoTest1()
+    {
+        HeterogeneousMixture h = new ();
+        h.Container = new Container(h);
+        HomogeneousMixture m = new();
+        h.AddLayer(m);
+        BaseAtom a = new SoAtom();
+        a.C();
+        Compound c = a.GrabCompound;
+        a.Compound = c;
+        c.Amount = 1;
+        m.AddCompound(c);
+        m.Volume = m.FreeVolume;
+        h.Container.EnvironmentTemperature = 2.4;
+        h.OneStep();
+        foreach (HomogeneousMixture mx in h.Layers)
+        {
+            Console.WriteLine($"{mx.Temperature} ===================");
+            foreach (Compound cx in mx.Compounds)
+            {
+                var b = cx.Atoms.First().NextUnconnected("m");
+                Console.WriteLine($"{cx.Expression}\t\tAMT:{cx.Amount}\t\tRes:{mx.Resolvability(cx)}\t\tE:{b.Energy}");
+            }
+        }
+    }
+}