@molcrafts/molrs 0.0.15 → 0.0.17

package/README.md

@@ -4,6 +4,9 @@
 
 WebAssembly bindings for the [molrs](https://github.com/MolCrafts/molrs) molecular modeling toolkit.
 
+Full documentation lives at <https://molcrafts.github.io/molrs/>. The WASM
+reference is published at <https://molcrafts.github.io/molrs/reference/wasm/>.
+
 ## Install
 
 ```bash
@@ -80,7 +83,7 @@ Frames without a simulation box are supported — a non-periodic bounding box is
 ## Build from source
 
 ```bash
-wasm-pack build --release --target bundler --scope molcrafts
+wasm-pack build --release --target bundler --scope molcrafts --out-name molrs
 ```
 
 This writes `pkg/` — the npm package. `pkg/package.json` is auto-generated by
@@ -104,6 +107,7 @@ build a smaller wasm containing only a subset, use Cargo features:
 
 ```bash
 wasm-pack build --release --target bundler --scope molcrafts \
+  --out-name molrs \
   --no-default-features --features io,smiles
 ```
 

package/molrs.d.ts

@@ -3018,53 +3018,6 @@ export class WasmLammpsDataStream {
      * throw.
      */
     finishIndex(): FrameIndexEntry[];
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     */
-    gridArrayCount(grid_idx: number): number;
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     */
-    gridArrayLen(grid_idx: number, array_idx: number): number;
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     */
-    gridArrayName(grid_idx: number, array_idx: number): string;
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     */
-    gridArrayPtrF64(grid_idx: number, array_idx: number): number;
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     */
-    gridCell(grid_idx: number): Float64Array;
-    /**
-     * Number of named grids attached to the current frame.
-     */
-    gridCount(): number;
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     */
-    gridName(grid_idx: number): string;
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     */
-    gridOrigin(grid_idx: number): Float64Array;
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     */
-    gridPbc(grid_idx: number): Uint8Array;
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     */
-    gridShape(grid_idx: number): Uint32Array;
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      */
@@ -3084,7 +3037,7 @@ export class WasmLammpsDataStream {
     parseRangeInInput(offset: number, len: number): void;
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -3206,53 +3159,6 @@ export class WasmLammpsDumpStream {
      * throw.
      */
     finishIndex(): FrameIndexEntry[];
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     */
-    gridArrayCount(grid_idx: number): number;
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     */
-    gridArrayLen(grid_idx: number, array_idx: number): number;
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     */
-    gridArrayName(grid_idx: number, array_idx: number): string;
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     */
-    gridArrayPtrF64(grid_idx: number, array_idx: number): number;
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     */
-    gridCell(grid_idx: number): Float64Array;
-    /**
-     * Number of named grids attached to the current frame.
-     */
-    gridCount(): number;
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     */
-    gridName(grid_idx: number): string;
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     */
-    gridOrigin(grid_idx: number): Float64Array;
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     */
-    gridPbc(grid_idx: number): Uint8Array;
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     */
-    gridShape(grid_idx: number): Uint32Array;
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      */
@@ -3272,7 +3178,7 @@ export class WasmLammpsDumpStream {
     parseRangeInInput(offset: number, len: number): void;
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -3458,53 +3364,6 @@ export class WasmPdbStream {
      * throw.
      */
     finishIndex(): FrameIndexEntry[];
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     */
-    gridArrayCount(grid_idx: number): number;
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     */
-    gridArrayLen(grid_idx: number, array_idx: number): number;
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     */
-    gridArrayName(grid_idx: number, array_idx: number): string;
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     */
-    gridArrayPtrF64(grid_idx: number, array_idx: number): number;
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     */
-    gridCell(grid_idx: number): Float64Array;
-    /**
-     * Number of named grids attached to the current frame.
-     */
-    gridCount(): number;
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     */
-    gridName(grid_idx: number): string;
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     */
-    gridOrigin(grid_idx: number): Float64Array;
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     */
-    gridPbc(grid_idx: number): Uint8Array;
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     */
-    gridShape(grid_idx: number): Uint32Array;
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      */
@@ -3524,7 +3383,7 @@ export class WasmPdbStream {
     parseRangeInInput(offset: number, len: number): void;
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -3646,53 +3505,6 @@ export class WasmSdfStream {
      * throw.
      */
     finishIndex(): FrameIndexEntry[];
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     */
-    gridArrayCount(grid_idx: number): number;
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     */
-    gridArrayLen(grid_idx: number, array_idx: number): number;
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     */
-    gridArrayName(grid_idx: number, array_idx: number): string;
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     */
-    gridArrayPtrF64(grid_idx: number, array_idx: number): number;
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     */
-    gridCell(grid_idx: number): Float64Array;
-    /**
-     * Number of named grids attached to the current frame.
-     */
-    gridCount(): number;
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     */
-    gridName(grid_idx: number): string;
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     */
-    gridOrigin(grid_idx: number): Float64Array;
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     */
-    gridPbc(grid_idx: number): Uint8Array;
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     */
-    gridShape(grid_idx: number): Uint32Array;
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      */
@@ -3712,7 +3524,7 @@ export class WasmSdfStream {
     parseRangeInInput(offset: number, len: number): void;
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -3834,53 +3646,6 @@ export class WasmXyzStream {
      * throw.
      */
     finishIndex(): FrameIndexEntry[];
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     */
-    gridArrayCount(grid_idx: number): number;
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     */
-    gridArrayLen(grid_idx: number, array_idx: number): number;
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     */
-    gridArrayName(grid_idx: number, array_idx: number): string;
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     */
-    gridArrayPtrF64(grid_idx: number, array_idx: number): number;
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     */
-    gridCell(grid_idx: number): Float64Array;
-    /**
-     * Number of named grids attached to the current frame.
-     */
-    gridCount(): number;
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     */
-    gridName(grid_idx: number): string;
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     */
-    gridOrigin(grid_idx: number): Float64Array;
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     */
-    gridPbc(grid_idx: number): Uint8Array;
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     */
-    gridShape(grid_idx: number): Uint32Array;
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      */
@@ -3900,7 +3665,7 @@ export class WasmXyzStream {
     parseRangeInInput(offset: number, len: number): void;
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */

package/molrs_bg.js

@@ -4812,129 +4812,6 @@ export class WasmLammpsDataStream {
         wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
         return v1;
     }
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     * @param {number} grid_idx
-     * @returns {number}
-     */
-    gridArrayCount(grid_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridArrayCount(this.__wbg_ptr, grid_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayLen(grid_idx, array_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridArrayLen(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {string}
-     */
-    gridArrayName(grid_idx, array_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmlammpsdatastream_gridArrayName(this.__wbg_ptr, grid_idx, array_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayPtrF64(grid_idx, array_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridArrayPtrF64(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridCell(grid_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridCell(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Number of named grids attached to the current frame.
-     * @returns {number}
-     */
-    gridCount() {
-        const ret = wasm.wasmlammpsdatastream_gridCount(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     * @param {number} grid_idx
-     * @returns {string}
-     */
-    gridName(grid_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmlammpsdatastream_gridName(this.__wbg_ptr, grid_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridOrigin(grid_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridOrigin(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     * @param {number} grid_idx
-     * @returns {Uint8Array}
-     */
-    gridPbc(grid_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridPbc(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU8FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 1, 1);
-        return v1;
-    }
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     * @param {number} grid_idx
-     * @returns {Uint32Array}
-     */
-    gridShape(grid_idx) {
-        const ret = wasm.wasmlammpsdatastream_gridShape(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU32FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
-        return v1;
-    }
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      * @returns {number}
@@ -4970,7 +4847,7 @@ export class WasmLammpsDataStream {
     }
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -5237,129 +5114,6 @@ export class WasmLammpsDumpStream {
         wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
         return v1;
     }
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     * @param {number} grid_idx
-     * @returns {number}
-     */
-    gridArrayCount(grid_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridArrayCount(this.__wbg_ptr, grid_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayLen(grid_idx, array_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridArrayLen(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {string}
-     */
-    gridArrayName(grid_idx, array_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmlammpsdumpstream_gridArrayName(this.__wbg_ptr, grid_idx, array_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayPtrF64(grid_idx, array_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridArrayPtrF64(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridCell(grid_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridCell(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Number of named grids attached to the current frame.
-     * @returns {number}
-     */
-    gridCount() {
-        const ret = wasm.wasmlammpsdumpstream_gridCount(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     * @param {number} grid_idx
-     * @returns {string}
-     */
-    gridName(grid_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmlammpsdumpstream_gridName(this.__wbg_ptr, grid_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridOrigin(grid_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridOrigin(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     * @param {number} grid_idx
-     * @returns {Uint8Array}
-     */
-    gridPbc(grid_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridPbc(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU8FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 1, 1);
-        return v1;
-    }
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     * @param {number} grid_idx
-     * @returns {Uint32Array}
-     */
-    gridShape(grid_idx) {
-        const ret = wasm.wasmlammpsdumpstream_gridShape(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU32FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
-        return v1;
-    }
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      * @returns {number}
@@ -5395,7 +5149,7 @@ export class WasmLammpsDumpStream {
     }
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -5774,129 +5528,6 @@ export class WasmPdbStream {
         wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
         return v1;
     }
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     * @param {number} grid_idx
-     * @returns {number}
-     */
-    gridArrayCount(grid_idx) {
-        const ret = wasm.wasmpdbstream_gridArrayCount(this.__wbg_ptr, grid_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayLen(grid_idx, array_idx) {
-        const ret = wasm.wasmpdbstream_gridArrayLen(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {string}
-     */
-    gridArrayName(grid_idx, array_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmpdbstream_gridArrayName(this.__wbg_ptr, grid_idx, array_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayPtrF64(grid_idx, array_idx) {
-        const ret = wasm.wasmpdbstream_gridArrayPtrF64(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridCell(grid_idx) {
-        const ret = wasm.wasmpdbstream_gridCell(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Number of named grids attached to the current frame.
-     * @returns {number}
-     */
-    gridCount() {
-        const ret = wasm.wasmpdbstream_gridCount(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     * @param {number} grid_idx
-     * @returns {string}
-     */
-    gridName(grid_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmpdbstream_gridName(this.__wbg_ptr, grid_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridOrigin(grid_idx) {
-        const ret = wasm.wasmpdbstream_gridOrigin(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     * @param {number} grid_idx
-     * @returns {Uint8Array}
-     */
-    gridPbc(grid_idx) {
-        const ret = wasm.wasmpdbstream_gridPbc(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU8FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 1, 1);
-        return v1;
-    }
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     * @param {number} grid_idx
-     * @returns {Uint32Array}
-     */
-    gridShape(grid_idx) {
-        const ret = wasm.wasmpdbstream_gridShape(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU32FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
-        return v1;
-    }
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      * @returns {number}
@@ -5932,7 +5563,7 @@ export class WasmPdbStream {
     }
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -6199,129 +5830,6 @@ export class WasmSdfStream {
         wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
         return v1;
     }
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     * @param {number} grid_idx
-     * @returns {number}
-     */
-    gridArrayCount(grid_idx) {
-        const ret = wasm.wasmsdfstream_gridArrayCount(this.__wbg_ptr, grid_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayLen(grid_idx, array_idx) {
-        const ret = wasm.wasmsdfstream_gridArrayLen(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {string}
-     */
-    gridArrayName(grid_idx, array_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmsdfstream_gridArrayName(this.__wbg_ptr, grid_idx, array_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayPtrF64(grid_idx, array_idx) {
-        const ret = wasm.wasmsdfstream_gridArrayPtrF64(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridCell(grid_idx) {
-        const ret = wasm.wasmsdfstream_gridCell(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Number of named grids attached to the current frame.
-     * @returns {number}
-     */
-    gridCount() {
-        const ret = wasm.wasmsdfstream_gridCount(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     * @param {number} grid_idx
-     * @returns {string}
-     */
-    gridName(grid_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmsdfstream_gridName(this.__wbg_ptr, grid_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridOrigin(grid_idx) {
-        const ret = wasm.wasmsdfstream_gridOrigin(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     * @param {number} grid_idx
-     * @returns {Uint8Array}
-     */
-    gridPbc(grid_idx) {
-        const ret = wasm.wasmsdfstream_gridPbc(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU8FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 1, 1);
-        return v1;
-    }
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     * @param {number} grid_idx
-     * @returns {Uint32Array}
-     */
-    gridShape(grid_idx) {
-        const ret = wasm.wasmsdfstream_gridShape(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU32FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
-        return v1;
-    }
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      * @returns {number}
@@ -6357,7 +5865,7 @@ export class WasmSdfStream {
     }
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -6624,129 +6132,6 @@ export class WasmXyzStream {
         wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
         return v1;
     }
-    /**
-     * Number of named scalar arrays in grid `gridIdx`.
-     * @param {number} grid_idx
-     * @returns {number}
-     */
-    gridArrayCount(grid_idx) {
-        const ret = wasm.wasmxyzstream_gridArrayCount(this.__wbg_ptr, grid_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Length (number of `f64` elements) of the grid scalar field.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayLen(grid_idx, array_idx) {
-        const ret = wasm.wasmxyzstream_gridArrayLen(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Name of scalar array `(gridIdx, arrayIdx)`, or empty string
-     * if either index is out of range.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {string}
-     */
-    gridArrayName(grid_idx, array_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmxyzstream_gridArrayName(this.__wbg_ptr, grid_idx, array_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Pointer to the contiguous `f64` slice backing the grid
-     * scalar field, or 0 (null) if either index is out of range.
-     *
-     * **Lifetime**: valid only until the next non-trivial wasm
-     * call. See the module-level memory-grow contract.
-     * @param {number} grid_idx
-     * @param {number} array_idx
-     * @returns {number}
-     */
-    gridArrayPtrF64(grid_idx, array_idx) {
-        const ret = wasm.wasmxyzstream_gridArrayPtrF64(this.__wbg_ptr, grid_idx, array_idx);
-        return ret >>> 0;
-    }
-    /**
-     * Grid lattice cell as a length-9 `Float64Array` (column-major:
-     * `[col0_x, col0_y, col0_z, col1_x, col1_y, col1_z, col2_x, col2_y, col2_z]`).
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridCell(grid_idx) {
-        const ret = wasm.wasmxyzstream_gridCell(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Number of named grids attached to the current frame.
-     * @returns {number}
-     */
-    gridCount() {
-        const ret = wasm.wasmxyzstream_gridCount(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Name of grid `gridIdx`, or empty string if out of range.
-     * @param {number} grid_idx
-     * @returns {string}
-     */
-    gridName(grid_idx) {
-        let deferred1_0;
-        let deferred1_1;
-        try {
-            const ret = wasm.wasmxyzstream_gridName(this.__wbg_ptr, grid_idx);
-            deferred1_0 = ret[0];
-            deferred1_1 = ret[1];
-            return getStringFromWasm0(ret[0], ret[1]);
-        } finally {
-            wasm.__wbindgen_free_command_export(deferred1_0, deferred1_1, 1);
-        }
-    }
-    /**
-     * Grid origin (Cartesian, Å) as a length-3 `Float64Array`.
-     * @param {number} grid_idx
-     * @returns {Float64Array}
-     */
-    gridOrigin(grid_idx) {
-        const ret = wasm.wasmxyzstream_gridOrigin(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayF64FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 8, 8);
-        return v1;
-    }
-    /**
-     * Grid PBC flags as a length-3 `Uint8Array` (`1` = periodic,
-     * `0` = open).
-     * @param {number} grid_idx
-     * @returns {Uint8Array}
-     */
-    gridPbc(grid_idx) {
-        const ret = wasm.wasmxyzstream_gridPbc(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU8FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 1, 1);
-        return v1;
-    }
-    /**
-     * Grid dimensions `[nx, ny, nz]` as a length-3 `Uint32Array`.
-     * @param {number} grid_idx
-     * @returns {Uint32Array}
-     */
-    gridShape(grid_idx) {
-        const ret = wasm.wasmxyzstream_gridShape(this.__wbg_ptr, grid_idx);
-        var v1 = getArrayU32FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free_command_export(ret[0], ret[1] * 4, 4);
-        return v1;
-    }
     /**
      * Current capacity (in bytes) of the reusable input buffer.
      * @returns {number}
@@ -6782,7 +6167,7 @@ export class WasmXyzStream {
     }
     /**
      * Drop the cached output frame, releasing its memory and
-     * invalidating any outstanding `columnPtr*` / `gridArrayPtr*`
+     * invalidating any outstanding `columnPtr*` pointers.
      * pointers. Subsequent extraction calls return 0 / empty
      * until the next `parseRangeInInput`.
      */
@@ -7164,18 +6549,18 @@ export function writeFrame(frame, format) {
         wasm.__wbindgen_free_command_export(deferred3_0, deferred3_1, 1);
     }
 }
-export function __wbg___wbindgen_debug_string_07cb72cfcc952e2b(arg0, arg1) {
+export function __wbg___wbindgen_debug_string_0accd80f45e5faa2(arg0, arg1) {
     const ret = debugString(arg1);
     const ptr1 = passStringToWasm0(ret, wasm.__wbindgen_malloc_command_export, wasm.__wbindgen_realloc_command_export);
     const len1 = WASM_VECTOR_LEN;
     getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
     getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
 }
-export function __wbg___wbindgen_memory_c2356dd1a089dfbd() {
+export function __wbg___wbindgen_memory_fbc4c3e30b409f08() {
     const ret = wasm.memory;
     return ret;
 }
-export function __wbg___wbindgen_string_get_965592073e5d848c(arg0, arg1) {
+export function __wbg___wbindgen_string_get_72bdf95d3ae505b1(arg0, arg1) {
     const obj = arg1;
     const ret = typeof(obj) === 'string' ? obj : undefined;
     var ptr1 = isLikeNone(ret) ? 0 : passStringToWasm0(ret, wasm.__wbindgen_malloc_command_export, wasm.__wbindgen_realloc_command_export);
@@ -7183,10 +6568,10 @@ export function __wbg___wbindgen_string_get_965592073e5d848c(arg0, arg1) {
     getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
     getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
 }
-export function __wbg___wbindgen_throw_9c75d47bf9e7731e(arg0, arg1) {
+export function __wbg___wbindgen_throw_1506f2235d1bdba0(arg0, arg1) {
     throw new Error(getStringFromWasm0(arg0, arg1));
 }
-export function __wbg_done_b1afd6201ac045e0(arg0) {
+export function __wbg_done_60cf307fcc680536(arg0) {
     const ret = arg0.done;
     return ret;
 }
@@ -7208,35 +6593,35 @@ export function __wbg_frameindexentry_new(arg0) {
 export function __wbg_getRandomValues_3f44b700395062e5() { return handleError(function (arg0, arg1) {
     globalThis.crypto.getRandomValues(getArrayU8FromWasm0(arg0, arg1));
 }, arguments); }
-export function __wbg_get_3b3bc8bc241720dc(arg0, arg1) {
+export function __wbg_get_0429a91975f37e2e(arg0, arg1) {
     const ret = arg0.get(arg1);
     return ret;
 }
-export function __wbg_get_unchecked_be562b1421656321(arg0, arg1) {
+export function __wbg_get_unchecked_33f6e5c9e2f2d6b2(arg0, arg1) {
     const ret = arg0[arg1 >>> 0];
     return ret;
 }
-export function __wbg_keys_99b59e6e5acd79e4(arg0) {
+export function __wbg_keys_75e37d4b5a2a8470(arg0) {
     const ret = arg0.keys();
     return ret;
 }
-export function __wbg_length_0a6ce016dc1460b0(arg0) {
+export function __wbg_length_27cfc5149a8eb2e7(arg0) {
     const ret = arg0.length;
     return ret;
 }
-export function __wbg_length_223a59fdabd2e386(arg0) {
+export function __wbg_length_280688879ee7deb5(arg0) {
     const ret = arg0.length;
     return ret;
 }
-export function __wbg_length_ba3c032602efe310(arg0) {
+export function __wbg_length_33096ac1966bb961(arg0) {
     const ret = arg0.length;
     return ret;
 }
-export function __wbg_length_e88e0ca29a377c1e(arg0) {
+export function __wbg_length_4a591ecaa01354d9(arg0) {
     const ret = arg0.length;
     return ret;
 }
-export function __wbg_length_eaf0f4c1173c0a9f(arg0) {
+export function __wbg_length_66f1a4b2e9026940(arg0) {
     const ret = arg0.length;
     return ret;
 }
@@ -7248,72 +6633,72 @@ export function __wbg_new_227d7c05414eb861() {
     const ret = new Error();
     return ret;
 }
-export function __wbg_new_3baa8d9866155c79() {
+export function __wbg_new_578aeef4b6b94378(arg0) {
+    const ret = new Uint8Array(arg0);
+    return ret;
+}
+export function __wbg_new_d90091b82fdf5b91() {
     const ret = new Array();
     return ret;
 }
-export function __wbg_new_8454eee672b2ba6e(arg0) {
-    const ret = new Uint8Array(arg0);
+export function __wbg_new_from_slice_1b23616ada25abcb(arg0, arg1) {
+    const ret = new Int32Array(getArrayI32FromWasm0(arg0, arg1));
     return ret;
 }
-export function __wbg_new_from_slice_3ca7c4e9a43341b6(arg0, arg1) {
+export function __wbg_new_from_slice_3c93d0bc613de8f0(arg0, arg1) {
     const ret = new Float64Array(getArrayF64FromWasm0(arg0, arg1));
     return ret;
 }
-export function __wbg_new_from_slice_823acd363b3844cf(arg0, arg1) {
+export function __wbg_new_from_slice_47be4219028de35d(arg0, arg1) {
     const ret = new Uint32Array(getArrayU32FromWasm0(arg0, arg1));
     return ret;
 }
-export function __wbg_new_from_slice_d60e366df9f55230(arg0, arg1) {
-    const ret = new Int32Array(getArrayI32FromWasm0(arg0, arg1));
+export function __wbg_new_with_length_1eb3643ef8ff666a(arg0) {
+    const ret = new Int32Array(arg0 >>> 0);
     return ret;
 }
-export function __wbg_new_with_length_2a29aa33411ddc89(arg0) {
-    const ret = new Float64Array(arg0 >>> 0);
+export function __wbg_new_with_length_21806dff02ad1c3e(arg0) {
+    const ret = new Uint32Array(arg0 >>> 0);
     return ret;
 }
-export function __wbg_new_with_length_9011f5da794bf5d9(arg0) {
+export function __wbg_new_with_length_36a4998e27b014c5(arg0) {
     const ret = new Uint8Array(arg0 >>> 0);
     return ret;
 }
-export function __wbg_new_with_length_b91f070a091394cc(arg0) {
-    const ret = new Uint32Array(arg0 >>> 0);
-    return ret;
-}
-export function __wbg_new_with_length_bc64f6940c022f00(arg0) {
-    const ret = new Int32Array(arg0 >>> 0);
+export function __wbg_new_with_length_b4a87ccced374381(arg0) {
+    const ret = new Float64Array(arg0 >>> 0);
     return ret;
 }
-export function __wbg_next_aacee310bcfe6461() { return handleError(function (arg0) {
+export function __wbg_next_eb8ca7351fa27906() { return handleError(function (arg0) {
     const ret = arg0.next();
     return ret;
 }, arguments); }
-export function __wbg_prototypesetcall_05223d3fcba7faf9(arg0, arg1, arg2) {
-    Uint32Array.prototype.set.call(getArrayU32FromWasm0(arg0, arg1), arg2);
-}
-export function __wbg_prototypesetcall_442370bc228f2c6b(arg0, arg1, arg2) {
-    Float64Array.prototype.set.call(getArrayF64FromWasm0(arg0, arg1), arg2);
+export function __wbg_prototypesetcall_3249fc62a0fafa30(arg0, arg1, arg2) {
+    Uint8Array.prototype.set.call(getArrayU8FromWasm0(arg0, arg1), arg2);
 }
-export function __wbg_prototypesetcall_f2173fe0ae650acf(arg0, arg1, arg2) {
+export function __wbg_prototypesetcall_3560ffd2e7034ba8(arg0, arg1, arg2) {
     Int32Array.prototype.set.call(getArrayI32FromWasm0(arg0, arg1), arg2);
 }
-export function __wbg_prototypesetcall_fd4050e806e1d519(arg0, arg1, arg2) {
-    Uint8Array.prototype.set.call(getArrayU8FromWasm0(arg0, arg1), arg2);
+export function __wbg_prototypesetcall_59640349d2c6d881(arg0, arg1, arg2) {
+    Uint32Array.prototype.set.call(getArrayU32FromWasm0(arg0, arg1), arg2);
+}
+export function __wbg_prototypesetcall_d1ae8885a2e9d458(arg0, arg1, arg2) {
+    Float64Array.prototype.set.call(getArrayF64FromWasm0(arg0, arg1), arg2);
 }
-export function __wbg_push_60a5366c0bb22a7d(arg0, arg1) {
+export function __wbg_push_a6822215aa43e71c(arg0, arg1) {
     const ret = arg0.push(arg1);
     return ret;
 }
-export function __wbg_set_438de26465606cfb(arg0, arg1, arg2) {
-    arg0.set(getArrayI32FromWasm0(arg1, arg2));
-}
-export function __wbg_set_e307b0b9eac6f966(arg0, arg1, arg2) {
+export function __wbg_set_63b87f7c2d096ec3(arg0, arg1, arg2) {
     arg0.set(getArrayF64FromWasm0(arg1, arg2));
 }
-export function __wbg_set_index_970e5226bce21dd8(arg0, arg1, arg2) {
+export function __wbg_set_ad3bde048c79fe2b(arg0, arg1, arg2) {
+    arg0.set(getArrayI32FromWasm0(arg1, arg2));
+}
+export function __wbg_set_index_73ced2e1b4a2a37e(arg0, arg1, arg2) {
     arg0[arg1 >>> 0] = arg2;
 }
-export function __wbg_set_index_9fd290d1cce481b3(arg0, arg1, arg2) {
+export function __wbg_set_index_88b4ef962117fc1b(arg0, arg1, arg2) {
     arg0[arg1 >>> 0] = arg2 >>> 0;
 }
 export function __wbg_stack_3b0d974bbf31e44f(arg0, arg1) {
@@ -7323,7 +6708,7 @@ export function __wbg_stack_3b0d974bbf31e44f(arg0, arg1) {
     getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
     getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
 }
-export function __wbg_value_f852716acdeb3e82(arg0) {
+export function __wbg_value_f3625092ee4b37f4(arg0) {
     const ret = arg0.value;
     return ret;
 }
@@ -7362,18 +6747,18 @@ const BlockFinalization = (typeof FinalizationRegistry === 'undefined')
 const BoxFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_box_free(ptr, 1));
-const CenterOfMassFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_centerofmass_free(ptr, 1));
-const CenterOfMassResultFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_centerofmassresult_free(ptr, 1));
 const CHGCARReaderFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_chgcarreader_free(ptr, 1));
 const CIFReaderFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_cifreader_free(ptr, 1));
+const CenterOfMassFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_centerofmass_free(ptr, 1));
+const CenterOfMassResultFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_centerofmassresult_free(ptr, 1));
 const ClusterFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_cluster_free(ptr, 1));
@@ -7392,18 +6777,21 @@ const DCDReaderFinalization = (typeof FinalizationRegistry === 'undefined')
 const FrameFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_frame_free(ptr, 1));
+const FrameIndexEntryFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_frameindexentry_free(ptr, 1));
 const GyrationTensorFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_gyrationtensor_free(ptr, 1));
 const InertiaTensorFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_inertiatensor_free(ptr, 1));
-const LAMMPSTrajReaderFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_lammpstrajreader_free(ptr, 1));
 const LAMMPSReaderFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_lammpsreader_free(ptr, 1));
+const LAMMPSTrajReaderFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_lammpstrajreader_free(ptr, 1));
 const LinkedCellFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_linkedcell_free(ptr, 1));
@@ -7434,15 +6822,18 @@ const RadiusOfGyrationFinalization = (typeof FinalizationRegistry === 'undefined
 const SDFReaderFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_sdfreader_free(ptr, 1));
+const SmilesIRFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_smilesir_free(ptr, 1));
+const TopologyFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_topology_free(ptr, 1));
 const TopologyRingInfoFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_topologyringinfo_free(ptr, 1));
 const WasmArrayFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_wasmarray_free(ptr, 1));
-const FrameIndexEntryFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_frameindexentry_free(ptr, 1));
 const WasmKMeansFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_wasmkmeans_free(ptr, 1));
@@ -7464,12 +6855,6 @@ const WasmPdbStreamFinalization = (typeof FinalizationRegistry === 'undefined')
 const WasmSdfStreamFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_wasmsdfstream_free(ptr, 1));
-const SmilesIRFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_smilesir_free(ptr, 1));
-const TopologyFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_topology_free(ptr, 1));
 const WasmXyzStreamFinalization = (typeof FinalizationRegistry === 'undefined')
     ? { register: () => {}, unregister: () => {} }
     : new FinalizationRegistry(ptr => wasm.__wbg_wasmxyzstream_free(ptr, 1));

package/package.json

@@ -5,7 +5,7 @@
     "MolCrafts"
   ],
   "description": "WASM bindings for molrs",
-  "version": "0.0.15",
+  "version": "0.0.17",
   "license": "BSD-3-Clause",
   "repository": {
     "type": "git",
@@ -24,4 +24,4 @@
     "./molrs.js",
     "./snippets/*"
   ]
-}
+}