matterviz 0.3.1 → 0.3.3

package/dist/settings.js

@@ -3,6 +3,13 @@
 import { symbol_names } from './labels';
 import { merge_nested } from './utils';
 export const SHOW_BONDS_OPTIONS = [`never`, `always`, `crystals`, `molecules`];
+export const VECTOR_COLOR_MODES = [
+    `auto`,
+    `element`,
+    `spin_direction`,
+    `magnitude`,
+    `uniform`,
+];
 export const ATOM_COLOR_MODE_OPTIONS = [
     `element`,
     `coordination`,
@@ -74,8 +81,8 @@ export const SETTINGS_CONFIG = {
     structure: {
         // Atoms & Bonds
         atom_radius: {
-            value: 1.0,
-            description: `Radius multiplier for atoms (1.0 = standard atomic radii)`,
+            value: 0.7,
+            description: `Radius multiplier for atoms (0.7 = standard atomic radii)`,
             minimum: 0.1,
             maximum: 3.0,
         },
@@ -267,36 +274,58 @@ export const SETTINGS_CONFIG = {
             minimum: 0,
             maximum: 4,
         },
-        // Forces & Lattice
-        show_force_vectors: {
-            value: false,
-            description: `Display force vectors on atoms`,
+        // Site Vectors (force, magmom, spin) & Lattice
+        vector_configs: {
+            value: {},
+            description: `Per-key configuration for site vector layers. Keys map to site property names (e.g. force, magmom, force_DFT). Auto-populated when a structure with vector data loads.`,
         },
-        force_scale: {
+        vector_scale: {
             value: 1.0,
-            description: `Scale factor for force vector arrows`,
+            description: `Scale factor for site vector arrows`,
             minimum: 0.1,
             maximum: 10.0,
         },
-        force_color: {
+        vector_color: {
             value: `#ff0000`,
-            description: `Color for force vectors`,
+            description: `Color for site vector arrows (used in uniform mode and as fallback)`,
+        },
+        vector_color_mode: {
+            value: `auto`,
+            description: `How to color arrows. auto = element for force, spin-direction for magmom/spin. element = majority species color. spin_direction = red/blue by z-component. magnitude = continuous color scale by vector length. uniform = single color (vector_color).`,
+        },
+        vector_color_scale: {
+            value: `interpolateViridis`,
+            description: `D3 color scale for magnitude coloring mode`,
+        },
+        vector_normalize: {
+            value: false,
+            description: `Show all arrows at the same length (direction only). Useful for spin/magmom visualization where orientation matters but magnitude does not.`,
+        },
+        vector_uniform_thickness: {
+            value: false,
+            description: `Use the same shaft and head size for all arrows regardless of length. When off (default), thickness scales with arrow length.`,
+        },
+        vector_origin_gap: {
+            value: 0,
+            description: `Fraction of visual atom radius to offset each arrow origin when multiple vectors are shown per site. 0 = all from atom center, 0.5 = halfway to surface.`,
+            minimum: 0,
+            maximum: 0.5,
         },
-        force_shaft_radius: {
-            value: -0.01,
-            description: `Radius of force vector shaft (negative = relative to length, positive = absolute)`,
+        vector_shaft_radius: {
+            value: -0.03,
+            description: `Radius of vector shaft (negative = relative to length, positive = absolute)`,
             minimum: -0.1,
             maximum: 0.1,
         },
-        force_arrow_head_radius: {
-            value: -0.025,
-            description: `Radius of force vector arrow head (negative = relative to length, positive = absolute)`,
+        vector_arrow_head_radius: {
+            value: -0.06,
+            description: `Radius of vector arrow head (negative = relative to length, positive = absolute)`,
             minimum: -0.2,
             maximum: 0.2,
         },
-        force_arrow_head_length: {
-            value: -0.1,
-            description: `Length of force vector arrow head (negative = relative to length, positive = absolute)`,
+        vector_arrow_head_length: {
+            value: -0.15,
+            description: `Length of vector arrow head (negative = relative to length, positive = absolute)`,
             minimum: -0.5,
             maximum: 0.5,
         },
@@ -563,6 +592,12 @@ export const SETTINGS_CONFIG = {
                 minimum: 0,
                 maximum: 1,
             },
+            border_radius: {
+                value: 3,
+                description: `Corner radius for bar tops (px)`,
+                minimum: 0,
+                maximum: 10,
+            },
         },
         line: {
             width: {
@@ -721,6 +756,10 @@ export const SETTINGS_CONFIG = {
             value: true,
             description: `Show X-axis grid lines`,
         },
+        show_x2_grid: {
+            value: false,
+            description: `Show secondary X-axis grid lines`,
+        },
         show_y_grid: {
             value: true,
             description: `Show Y-axis grid lines`,
@@ -733,6 +772,10 @@ export const SETTINGS_CONFIG = {
             value: `.2~s`,
             description: `Number format for X-axis ticks (D3 format specifier)`,
         },
+        x2_format: {
+            value: ``,
+            description: `Number format for secondary X-axis ticks (D3 format specifier)`,
+        },
         y_format: {
             value: `d`,
             description: `Number format for Y-axis ticks (D3 format specifier)`,
@@ -771,6 +814,7 @@ export const SETTINGS_CONFIG = {
         },
     },
     convex_hull: {
+        // Convex hull defaults (binary/ternary/quaternary)
         binary: {
             camera_zoom: {
                 value: 1.0,