Update build. Add cross-sections calculator

README.md

@@ -0,0 +1 @@
+## Trapping simulation

build.gradle

@@ -1,29 +0,0 @@
-plugins {
-    id "org.jetbrains.kotlin.jvm" version "1.4.10"
-    id "application"
-}
-
-group = 'ru.inr.mass'
-version = '1.0.0'
-
-description = "Numass trapping simulation"
-
-mainClassName = "ru.inr.mass.trapping.TrappingKt"
-
-repositories {
-    mavenCentral()
-}
-
-dependencies {
-    compile group: 'org.apache.commons', name: 'commons-math3', version: '3.6.1'
-
-    // https://mvnrepository.com/artifact/org.apache.commons/commons-rng-simple
-    compile group: 'org.apache.commons', name: 'commons-rng-simple', version: '1.1'
-
-    testCompile group: 'junit', name: 'junit', version: '4.12'
-}
-
-compileKotlin {
-    kotlinOptions.jvmTarget = "1.8"
-}
-

build.gradle.kts

@@ -0,0 +1,30 @@
+plugins {
+    kotlin("jvm") version "1.4.10"
+    application
+}
+
+group = "ru.inr.mass"
+version = "1.1.0"
+
+description = "Numass trapping simulation"
+application {
+    mainClassName = "ru.inr.mass.trapping.MainKt"
+}
+
+repositories {
+    jcenter()
+    mavenCentral()
+}
+
+dependencies {
+    implementation("org.apache.commons:commons-math3:3.6.1")
+    implementation("org.apache.commons:commons-rng-simple:1.1")
+    implementation("kscience.plotlykt:plotlykt-core:0.2.0")
+    implementation("de.m3y.kformat:kformat:0.7")
+    testImplementation("junit:junit:4.12")
+}
+
+tasks.compileKotlin {
+    kotlinOptions.jvmTarget = "1.8"
+}
+

settings.gradle

@@ -1 +0,0 @@
-rootProject.name = 'trapping'

settings.gradle.kts

@@ -0,0 +1 @@
+rootProject.name = "trapping"

src/main/kotlin/ru/inr/mass/trapping/Main.kt

@@ -19,7 +19,7 @@ fun main() {
         SimulationManager().apply {
             comment = "Out of the box cross-sections"
             fileName = "trap[$e]"
-            setFields(0.6, 3.7, 7.2)
+            setFields(0.6, 3.6, 7.2)
             gasDensity = 1e19
             initialE = e
             range = 4000.0

src/main/kotlin/ru/inr/mass/trapping/Simulator.kt

@@ -380,7 +380,7 @@ class Simulator(
 
 
         /**
-         * Сложение вектора с учетом случайно распределения по фи
+         * Vector addition, taking into account random phi distribution
          *
          * @param dTheta
          * @return resulting angle

src/main/kotlin/ru/inr/mass/trapping/crosssections.kt

@@ -0,0 +1,75 @@
+package ru.inr.mass.trapping
+
+import de.m3y.kformat.Table
+import de.m3y.kformat.table
+import kscience.plotly.Plotly
+import kscience.plotly.layout
+import kscience.plotly.makeFile
+import kscience.plotly.models.AxisType
+import kscience.plotly.scatter
+
+infix fun ClosedFloatingPointRange<Double>.step(step: Double): Sequence<Double> = sequence {
+    var current = start
+
+    while (current <= endInclusive) {
+        yield(current)
+        current += step
+    }
+}
+
+
+fun main() {
+
+    val energies = ((1.0..20.0) step 0.2).toList() // energy in keV
+
+    val barn = 1e-22
+    val sigmaEl = energies.map { Scatter.sigmael(it * 1000) / barn }
+    val sigmaIon = energies.map { Scatter.sigmaion(it * 1000) / barn }
+    val sigmaExc = energies.map { Scatter.sigmaexc(it * 1000) / barn }
+
+    Plotly.plot {
+        scatter {
+            x.numbers = energies
+            y.numbers = sigmaEl
+            name = "Elastic"
+        }
+        scatter {
+            x.numbers = energies
+            y.numbers = sigmaIon
+            name = "Ionization"
+        }
+        scatter {
+            x.numbers = energies
+            y.numbers = sigmaExc
+            name = "Excitation"
+        }
+        layout{
+            yaxis {
+                title = "Cross-section (Barn)"
+                type = AxisType.log
+            }
+            xaxis{
+                title = "Electron energy (KeV)"
+            }
+
+        }
+    }.makeFile()
+
+    val table = table {
+        header("E(keV)", "elastic", "ion", "exc")
+
+        for (e in (12.0..18.6) step 0.1) {
+            row(
+                e,
+                Scatter.sigmael(e * 1000) / barn,
+                Scatter.sigmaion(e * 1000) / barn,
+                Scatter.sigmaexc(e * 1000) / barn
+            )
+        }
+        hints {
+            borderStyle = Table.BorderStyle.SINGLE_LINE // or NONE
+        }
+    }.render(StringBuilder())
+
+    println(table)
+}