add correct maths

DiamondLightSource · Oct 6, 2023 · 8001ce2 · 8001ce2
1 parent 9b9be6b
commit 8001ce2
Show file tree

Hide file tree

Showing 5 changed files with 31 additions and 28 deletions.
diff --git a/src/plot/centrePlot.tsx b/src/plot/centrePlot.tsx
@@ -1,5 +1,4 @@
 import { Box, Card, CardContent, Stack } from "@mui/material";
-// @ts-ignore
 import {
   DataToHtml,
   DefaultInteractions,

diff --git a/src/results/resultsBar.tsx b/src/results/resultsBar.tsx
@@ -166,13 +166,13 @@ export default function ResultsBar(props: {
                               size="small"
                               label="units"
                               value={resultStore.s.units}
-                              onChange={(event) => updateSUnits(event.target.value as ReciprocalWavelengthUnits)}
+                              onChange={(event) => updateSUnits(event.target.value as WavelengthUnits)}
                             >
-                              <MenuItem value={ReciprocalWavelengthUnits.nanmometres}>
-                                {ReciprocalWavelengthUnits.nanmometres}
+                              <MenuItem value={WavelengthUnits.nanmometres}>
+                                {WavelengthUnits.nanmometres}
                               </MenuItem>
-                              <MenuItem value={ReciprocalWavelengthUnits.angstroms}>
-                                {ReciprocalWavelengthUnits.angstroms}
+                              <MenuItem value={WavelengthUnits.angstroms}>
+                                {WavelengthUnits.angstroms}
                               </MenuItem>
                             </Select>
                           </FormControl></TableCell>
@@ -205,8 +205,8 @@ export default function ResultsBar(props: {
                         key={"things"}
                       >
                         <TableCell component="th" scope="row">{ScatteringOptions.twoTheta}</TableCell>
-                        <TableCell align="right">{thetaRange.min.toFixed(4)}</TableCell>
-                        <TableCell align="right">{thetaRange.max.toFixed(4)}</TableCell>
+                        <TableCell align="right">{thetaRange.min.toFixed(5)}</TableCell>
+                        <TableCell align="right">{thetaRange.max.toFixed(5)}</TableCell>
                         <TableCell align="right">
                           <FormControl>
                             <InputLabel>theta</InputLabel>

diff --git a/src/results/resultsStore.ts b/src/results/resultsStore.ts
@@ -22,22 +22,22 @@ export interface ResultStore {
     updateRequested: (quantity: ScatteringOptions) => void;
     updateRequestedRange: (newRange: NumericRange) => void;
     updateQUnits: (newunits: ReciprocalWavelengthUnits) => void;
-    updateSUnits: (newunits: ReciprocalWavelengthUnits) => void;
+    updateSUnits: (newunits: WavelengthUnits) => void;
     updateDUnits: (newunits: WavelengthUnits) => void;
     updateThetaUnits: (newunits: AngleUnits, wavelength: number) => void;
 }
 
 export const useResultStore = create<ResultStore>((set) => ({
     requested: ScatteringOptions.q,
     q: new Q(ReciprocalWavelengthUnits.nanmometres),
-    s: new S(ReciprocalWavelengthUnits.nanmometres),
+    s: new S(WavelengthUnits.nanmometres),
     d: new D(WavelengthUnits.nanmometres),
     twoTheta: new TwoTheta(AngleUnits.radians, 0),
     requestedRange: new NumericRange(0, 1),
     updateRequested: (quantity: ScatteringOptions) => { set({ requested: quantity }) },
     updateRequestedRange: (newRange: NumericRange) => { set({ requestedRange: newRange }) },
     updateQUnits: (newunits: ReciprocalWavelengthUnits) => set({ q: new Q(newunits) }),
-    updateSUnits: (newunits: ReciprocalWavelengthUnits) => set({ s: new S(newunits) }),
+    updateSUnits: (newunits: WavelengthUnits) => set({ s: new S(newunits) }),
     updateDUnits: (newunits: WavelengthUnits) => set({ d: new D(newunits) }),
     updateThetaUnits: (newunits: AngleUnits, wavelength: number) => set({ twoTheta: new TwoTheta(newunits, wavelength) })
 }));

diff --git a/src/results/scatteringQuantities.ts b/src/results/scatteringQuantities.ts
@@ -1,4 +1,5 @@
-import { AngleUnits, WavelengthUnits, ReciprocalWavelengthUnits } from "../utils/units";
+import { AngleUnits, WavelengthUnits, ReciprocalWavelengthUnits, nanometres2Angstroms, angstroms2Nanometres } from "../utils/units";
+import { MathUtils } from "three/src/Three.js";
 
 export interface ScatteringQuantity {
     units: WavelengthUnits | AngleUnits | ReciprocalWavelengthUnits,
@@ -13,32 +14,35 @@ export class Q implements ScatteringQuantity {
     }
     fromQ(quantity: number): number {
         if (this.units == ReciprocalWavelengthUnits.angstroms) {
-            return quantity / 10;
+            // reciprocal units so we do the inverse
+            return angstroms2Nanometres(quantity);
         }
         return quantity
     }
     tooQ(quantity: number): number {
         if (this.units === ReciprocalWavelengthUnits.angstroms) {
-            return quantity * 10;
+            // reciprocal units so we do the inverse
+            return nanometres2Angstroms(quantity);
         }
         return quantity
     }
 }
 
 export class S implements ScatteringQuantity {
-    units: ReciprocalWavelengthUnits;
-    constructor(units: ReciprocalWavelengthUnits) {
+    units: WavelengthUnits;
+    constructor(units: WavelengthUnits) {
         this.units = units
     }
     fromQ(quantity: number): number {
-        if (this.units === ReciprocalWavelengthUnits.angstroms) {
-            return (1 / quantity) * 10;
+        if (this.units === WavelengthUnits.angstroms) {
+
+            return nanometres2Angstroms(1 / quantity);
         }
         return 1 / quantity
     }
     tooQ(quantity: number): number {
-        if (this.units === ReciprocalWavelengthUnits.angstroms) {
-            return 1 / (quantity / 10);
+        if (this.units === WavelengthUnits.angstroms) {
+            return 1 / (angstroms2Nanometres(quantity));
         }
         return 1 / quantity
     }
@@ -51,13 +55,13 @@ export class D implements ScatteringQuantity {
     }
     fromQ(quantity: number): number {
         if (this.units === WavelengthUnits.angstroms) {
-            return 2 * Math.PI / (quantity) * 10;
+            return nanometres2Angstroms(2 * Math.PI / quantity);
         }
         return 2 * Math.PI / (quantity)
     }
     tooQ(quantity: number): number {
-        if (this.units === WavelengthUnits.nanmometres) {
-            return 2 * Math.PI / (quantity / 10);
+        if (this.units === WavelengthUnits.angstroms) {
+            return 2 * Math.PI / angstroms2Nanometres(quantity);
         }
         return 2 * Math.PI / (quantity)
     }
@@ -72,14 +76,14 @@ export class TwoTheta implements ScatteringQuantity {
     }
     fromQ(quantity: number): number {
         if (this.units === AngleUnits.degrees) {
-            return (2 * Math.asin((quantity * this.wavelength) / (4 * Math.PI)));
+            return 2 * MathUtils.radToDeg(Math.asin((quantity * this.wavelength) / (4 * Math.PI)));
         }
-        return quantity
+        return 2 * Math.asin((quantity * this.wavelength) / (4 * Math.PI))
     }
     tooQ(quantity: number): number {
         if (this.units === AngleUnits.degrees) {
-            return quantity;
+            return ((4 * Math.PI) / this.wavelength) * Math.sin(MathUtils.degToRad(quantity / 2));
         }
-        return 4 * Math.PI * Math.sin(quantity) / this.wavelength
+        return ((4 * Math.PI) / this.wavelength) * Math.sin(quantity / 2)
     }
 }
diff --git a/src/utils/units.ts b/src/utils/units.ts
@@ -78,4 +78,4 @@ export const kiloElectronVolts2ElectronVots = (input: number): number => {
 
 export const electronVots2KiloElectronVolts = (input: number): number => {
   return input / 1000;
-};
+};