Added function to format labels

Partially addresses #7
CCP-NC · Sep 9, 2022 · 9cb553a · 9cb553a
1 parent f4b6e96
commit 9cb553a
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Showing 3 changed files with 53 additions and 6 deletions.
diff --git a/src/core/sidebars/MVSidebarEFG.js b/src/core/sidebars/MVSidebarEFG.js
@@ -44,9 +44,9 @@ function MVSidebarEFG(props) {
              <MVButton onClick={() => { efgint.ellipsoidScale = 0; }} disabled={!efgint.hasEllipsoids}>Auto scale</MVButton>
              <MVRadioGroup label='Show labels' onSelect={(v) => { efgint.labelsMode = v; }} selected={efgint.labelsMode} name='efg_label_radio' color={'var(--efg-color-2)'}>
                 <MVRadioButton value='none'>None</MVRadioButton>
-                <MVRadioButton value='aniso'>Anisotropy (au)</MVRadioButton>
+                {/* <MVRadioButton value='aniso'>Anisotropy (au)</MVRadioButton> */}
                 <MVRadioButton value='asymm'>Asymmetry</MVRadioButton>
-                <MVRadioButton value='Q'>Quadrupole Coupling (kHz)</MVRadioButton>
+                <MVRadioButton value='Q'>Quadrupole Coupling</MVRadioButton>
              </MVRadioGroup>
              <MVRadioGroup label='Use color scale' onSelect={(v) => { efgint.colorScaleType = v; }} selected={ efgint.colorScaleType } disabled={!efgint.colorScaleAvailable}
                            name='efg_cscale_radio' color={'var(--efg-color-2)'}>

diff --git a/src/core/store/listeners/labels.js b/src/core/store/listeners/labels.js
@@ -2,7 +2,7 @@
  * Listeners for the rendering of labels
  */
 
-import { addPrefix, getSel, getNMRData } from '../utils';
+import { addPrefix, getSel, getNMRData, formatNumber } from '../utils';
 import { selColor, msColor, efgColor } from './colors';
 
 function makeLabelListener(name, color, shiftfunc) {
@@ -36,7 +36,10 @@ function makeLabelListener(name, color, shiftfunc) {
 
             if (name !== 'sel_sites') {
                 let [units, values] = getNMRData(next_view, mode, name, ref_table);
-                label_texts = values.map((v) => v.toFixed(2) + ' ' + units);                
+                // use formatNumber to get the right number of decimals
+                let precision = 2;
+                label_texts = values.map((v) => formatNumber(v, units, precision));
+
             }
             else {
                 // Non-NMR labels

diff --git a/src/core/store/utils.js b/src/core/store/utils.js
@@ -81,16 +81,59 @@ function getNMRData(view, datatype, tenstype='ms', reftable=null) {
         case 'Q':
             values = tensors.map((T, i) => {
                 let iD = view.atoms[i].isotopeData;
-                return T.efgAtomicToHz(iD.Q).haeberlen_eigenvalues[2]/1e3;
+                return T.efgAtomicToHz(iD.Q).haeberlen_eigenvalues[2];
             });
-            units = 'kHz';
+            units = 'Hz'; // if this changes, change formatNumber as well!
             break;
         default:
             break;
     }
 
     return [units, values];
 }
+function formatNumber(value, unit, precision=2) {
+    // function to adapt metric prefix to number given a unit string
+    // and a precision
+    // returns a string with the number and the unit
+
+    // special hadnling for kHz
+    if (unit === 'Hz') {
+        // -- handle negative values -- //
+        if (value < 0) {
+            return '-' + formatNumber(-value, unit, precision);
+        }
+
+        // -- handle positive values -- //
+
+        // suppress label completely if value is less than 1e-8 kHz
+        if (value < 1e-8) {
+            return '';
+        }
+
+        let prefix = '';
+        // convert to MHz if value is greater than 1 MHz
+        if (value > 1e6) {
+            value /= 1e6;
+            prefix = 'M';
+            // hard-coded precision for MHz
+            precision = 3;
+        }
+        // Convert to kHz if value is > 1 kHz but < 1 MHz
+        else if (value > 1e3) {
+            value /= 1e3;
+            prefix = 'k';
+            // hard-coded precision for kHz
+            precision = 1;
+        }
+        else {
+            // hard-coded precision for Hz
+            precision = 0;
+        }
+        unit = prefix + 'Hz';
+
+    }
+    return value.toFixed(precision) + ' ' + unit;
+}
 
 function getLinkLabel(a1, a2, linktype) {
 
@@ -156,6 +199,7 @@ export {
     addPrefix,
     getSel,
     getNMRData,
+    formatNumber,
     getLinkLabel,
     BaseInterface,
     DataCheckInterface