calculations working as intended

src/calculations/qrange.test.ts

@@ -1,4 +1,4 @@
-import { test } from "vitest";
+import { assert, expect, test } from "vitest";
 import { computeQrange } from "./qrange";
 import {
   BeamlineConfig,
@@ -11,7 +11,7 @@ test("Test computing q ranges", () => {
   const detector: Detector = {
     resolution: {
       height: 1679,
-      width: 1465,
+      width: 1475,
     },
     pixelSize: {
       height: 0.172,
@@ -28,15 +28,15 @@ test("Test computing q ranges", () => {
     cameraLength: 1.9,
     minWavelength: 6.2e-2,
     maxWavelength: 0.335,
-    minCameraLength: 0,
-    maxCameraLength: 4,
-    wavelength: 9e-2,
+    minCameraLength: 1.9,
+    maxCameraLength: 9.9,
+    wavelength: 0.09,
   };
   const cameraTube: CircularDevice = {
     centre: { x: 738, y: 840 },
     diameter: 310,
   };
 
   const result = computeQrange(detector, beamstop, cameraTube, beamConfig);
-  console.log(result);
+  expect(result).toBeTruthy()
 });

src/calculations/qrange.ts

@@ -31,9 +31,9 @@ export function computeQrange(
     fullQRange: NumericRange;
 } | null {
     // convert pixel values to mm
-    const clearanceWidthMM = (beamstop.clearance ?? 0) * detector.pixelSize.width;
+    const clearanceWidthMM = (beamstop.clearance ?? 0) * detector.pixelSize.width + (beamstop.diameter / 2)
     const clearaceHeightMM =
-        (beamstop.clearance ?? 0) * detector.pixelSize.height;
+        (beamstop.clearance ?? 0) * detector.pixelSize.height + (beamstop.diameter / 2);
 
     const beamcentreXMM = (beamstop.centre.x ?? 0) * detector.pixelSize.width;
     const beamcentreYMM = (beamstop.centre.y ?? 0) * detector.pixelSize.height;
@@ -85,58 +85,54 @@ export function computeQrange(
     const ptMin = ray.getPoint(t1.min);
     const ptMax = ray.getPoint(t1.max);
 
+    // works as intended up to here
+
     const detProps: DetectorProperties = {
         ...detector,
         origin: new Vector3(
             beamcentreXMM,
             beamcentreYMM,
-            beamProperties.cameraLength * 1e-3,
+            beamProperties.cameraLength * 1e3,
         ),
         beamVector: new Vector3(0, 0, 1),
     };
 
     const diffCrystEnv: DiffractionCrystalEnvironment = {
         wavelength: beamProperties.wavelength * 1e10,
-        referenceNormal: new Vector3(0, 1, 0),
-        strokesVector: new Vector4(1, 1, 0, 0),
     };
 
     const qspace = new QSpace(detProps, diffCrystEnv, 2 * Math.PI);
 
+
     // get visible range
     const visibleQMin = qspace.qFromPixelPosition(
-        ptMin.x / detector.pixelSize.width,
-        ptMin.y / detector.pixelSize.height,
+        ptMin,
     );
     const visibleQMax = qspace.qFromPixelPosition(
-        ptMax.x / detector.pixelSize.width,
-        ptMax.y / detector.pixelSize.height,
+        ptMax
     );
 
     detProps.origin.z = beamProperties.minCameraLength * 1e3;
     qspace.setDiffractionCrystalEnviroment({
         ...diffCrystEnv,
-        wavelength: beamProperties.minCameraLength * 1e10,
+        wavelength: beamProperties.minWavelength * 1e10,
     });
     const fullQMin = qspace.qFromPixelPosition(
-        ptMin.x / detector.pixelSize.width,
-        ptMin.y / detector.pixelSize.height,
+        ptMax
     );
 
     detProps.origin.z = beamProperties.maxCameraLength * 1e3;
     qspace.setDiffractionCrystalEnviroment({
         ...diffCrystEnv,
-        wavelength: beamProperties.maxCameraLength * 1e10,
+        wavelength: beamProperties.maxWavelength * 1e10,
     });
     const fullQMax = qspace.qFromPixelPosition(
-        ptMax.x / detector.pixelSize.width,
-        ptMax.y / detector.pixelSize.height,
+        ptMin
     );
-
     return {
         ptMin: ptMin,
         ptMax: ptMax,
-        visibleQRange: new NumericRange(visibleQMin.x, visibleQMax.x),
-        fullQRange: new NumericRange(fullQMin.x, fullQMax.x),
+        visibleQRange: new NumericRange(visibleQMin.length() * 1e10, visibleQMax.length() * 1e10),
+        fullQRange: new NumericRange(fullQMin.length() * 1e10, fullQMax.length() * 1e10),
     };
 }

src/calculations/qspace.ts

@@ -1,10 +1,8 @@
-import { Vector3, Vector4 } from "three";
+import { Vector3, Vector2 } from "three";
 import { Detector } from "../utils/types";
 
 export interface DiffractionCrystalEnvironment {
   wavelength: number;
-  referenceNormal: Vector3;
-  strokesVector: Vector4;
 }
 
 export interface DetectorProperties extends Detector {
@@ -15,8 +13,6 @@ export interface DetectorProperties extends Detector {
 export default class QSpace {
   detProps: DetectorProperties;
   kmod: number;
-  reference: Vector3;
-  strokes: Vector4;
   qScale: number;
   mki: Vector3;
 
@@ -28,10 +24,13 @@ export default class QSpace {
     this.detProps = detProps;
     detProps.beamVector.normalize();
     this.qScale = qScale;
-    this.mki = new Vector3().copy(detProps.beamVector).negate();
+
+
+    this.mki = detProps.beamVector.clone().negate();
     this.kmod = this.qScale / diffexp.wavelength;
-    this.reference = diffexp.referenceNormal;
-    this.strokes = diffexp.strokesVector;
+    const ki = this.detProps.beamVector.clone()
+    ki.multiplyScalar(this.kmod)
+    this.mki = ki.negate()
   }
 
   convertToQ(q: Vector3) {
@@ -42,23 +41,24 @@ export default class QSpace {
     } else {
       q.add(this.mki);
     }
+    return q
   }
 
-  qFromPixelPosition(x: number, y: number) {
+  qFromPixelPosition(vector: Vector2) {
     const q = new Vector3();
     q.set(
-      -this.detProps.pixelSize.height * x,
-      -this.detProps.pixelSize.width * y,
+      -vector.x,
+      -vector.y,
       0,
     );
     q.add(this.detProps.origin);
-    this.convertToQ(q);
-    return q;
+    return this.convertToQ(q);
   }
 
   setDiffractionCrystalEnviroment(diffexp: DiffractionCrystalEnvironment) {
     this.kmod = this.qScale / diffexp.wavelength;
-    this.reference = diffexp.referenceNormal;
-    this.strokes = diffexp.strokesVector;
+    const ki = this.detProps.beamVector.clone()
+    ki.multiplyScalar(this.kmod)
+    this.mki = ki.negate()
   }
 }