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refactor: Extract common Data1D processing logic from sync modifiers #192

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refactor: Extract common Data1D processing logic from sync modifiers #192

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87a68f9
refactor: Extract common Data1D processing logic from sync modifiers
cursoragent Nov 1, 2025
ffc014e
Address PR review comments: optimize processData1D and use destructuring
cursoragent Nov 1, 2025
544b2e6
Address additional PR review comments: optimize loop and use Object.a…
cursoragent Nov 1, 2025
94e1529
Merge branch 'main' into cursor/solve-issue-185-and-create-pr-c984
andeplane Nov 1, 2025
b33e5b2
Checkpoint before follow-up message
cursoragent Nov 1, 2025
f7e3a9c
Improve loop logic in processData1D helper function
cursoragent Nov 1, 2025
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90 changes: 90 additions & 0 deletions src/modifiers/modifier.ts
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Original file line number Diff line number Diff line change
@@ -1,10 +1,100 @@
import { ModifierInput, ModifierOutput } from "./types";
import { LMPModifier, Data1D } from "../types";

interface ModifierProps {
name: string;
active: boolean;
}

export interface ProcessedData1D {
data1D: Data1D | undefined;
hasData1D: boolean;
clearPerSync: boolean;
}

/**
* Shared helper function to process Data1D from LMPModifier.
* Extracts common logic for syncing computes, fixes, and variables.
*/
export function processData1D(
lmpModifier: LMPModifier,
data1D: Data1D | undefined,
input: ModifierInput,
everything: boolean,
syncDataPoints: boolean
): ProcessedData1D {
// Get data1DNamesWrapper and extract size, then delete immediately
const data1DNamesWrapper = lmpModifier.getData1DNames();
const data1DNamesSize = data1DNamesWrapper.size();
const hasData1D = data1DNamesSize > 0;
data1DNamesWrapper.delete(); // Delete WASM wrapper to prevent memory leak

if (data1DNamesSize === 0) {
return { data1D, hasData1D, clearPerSync: false };
}

const clearPerSync = lmpModifier.getClearPerSync();

if (data1D == null) {
data1D = {
data: [],
labels: [],
};
}

if (everything || syncDataPoints) {
// Data points is only for plotting figures
if (clearPerSync) {
// For histograms (compute rdf etc) we don't have time as x axis, so we clear every time
data1D.data = [];
}

const lengthBeforeWeStart = data1D.data.length; // Used to avoid copying all data every time

if (data1D.labels.length === 0) {
// First label is never visible
data1D.labels.push("x");
}

// Get data1DVector once before the loop for better performance
const data1DVector = lmpModifier.getData1D();

for (let j = 0; j < data1DNamesSize; j++) {
const lmpData = data1DVector.get(j);

if (data1D.labels.length - 1 === j) {
// Add missing labels
data1D.labels.push(lmpData.getLabel());
}

const xValuesPointer = lmpData.getXValuesPointer() / 4;
const yValuesPointer = lmpData.getYValuesPointer() / 4;
const xValues = input.wasm.HEAPF32.subarray(
xValuesPointer,
xValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
const yValues = input.wasm.HEAPF32.subarray(
yValuesPointer,
yValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
for (let k = lengthBeforeWeStart; k < xValues.length; k++) {
if (j === 0) {
data1D.data.push([xValues[k]]);
}
data1D.data[k].push(yValues[k]);
}

// Delete the Data1D copy to prevent memory leak
lmpData.delete();
}

// Delete the vector wrapper after the loop to prevent memory leak
data1DVector.delete();
}

return { data1D, hasData1D, clearPerSync };
}

class Modifier {
public name: string;
public key: string;
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77 changes: 11 additions & 66 deletions src/modifiers/synccomputesmodifier.ts
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Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
import Modifier from "./modifier";
import { ModifierInput, ModifierOutput } from "./types";
import { processData1D } from "./modifier";

interface SyncComputesModifierProps {
name: string;
Expand Down Expand Up @@ -52,72 +53,16 @@ class SyncComputesModifier extends Modifier {
compute.yLabel = compute.lmpCompute.getYLabel();
compute.scalarValue = compute.lmpCompute.getScalarValue();

// Get data1DNamesWrapper and extract size, then delete immediately
const data1DNamesWrapper = compute.lmpCompute.getData1DNames();
compute.hasData1D = data1DNamesWrapper.size() > 0;
const data1DNamesSize = data1DNamesWrapper.size();
data1DNamesWrapper.delete(); // Delete WASM wrapper to prevent memory leak

if (data1DNamesSize > 0) {
compute.clearPerSync = compute.lmpCompute.getClearPerSync();

if (compute.data1D == null) {
compute.data1D = {
data: [],
labels: [],
};
}

if ((everything || compute.syncDataPoints) && compute.data1D) {
// Data points is only for plotting figures
if (compute.clearPerSync) {
// For histograms (compute rdf etc) we don't have time as x axis, so we clear every time
compute.data1D.data = [];
}

const lengthBeforeWeStart = compute.data1D.data.length; // Used to avoid coping all data every time

if (compute.data1D.labels.length === 0) {
// First label is never visible
compute.data1D.labels.push("x");
}

// Get data1DVector once before the loop for better performance
const data1DVector = compute.lmpCompute.getData1D();

for (let j = 0; j < data1DNamesSize; j++) {
const lmpData = data1DVector.get(j);

if (compute.data1D.labels.length - 1 === j) {
// Add missing labels
compute.data1D.labels.push(lmpData.getLabel());
}

const xValuesPointer = lmpData.getXValuesPointer() / 4;
const yValuesPointer = lmpData.getYValuesPointer() / 4;
const xValues = input.wasm.HEAPF32.subarray(
xValuesPointer,
xValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
const yValues = input.wasm.HEAPF32.subarray(
yValuesPointer,
yValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
for (let k = lengthBeforeWeStart; k < xValues.length; k++) {
if (j === 0) {
compute.data1D.data.push([xValues[k]]);
}
compute.data1D.data[k].push(yValues[k]);
}

// Delete the Data1D copy to prevent memory leak
lmpData.delete();
}

// Delete the vector wrapper after the loop to prevent memory leak
data1DVector.delete();
}
}
const { data1D, hasData1D, clearPerSync } = processData1D(
compute.lmpCompute,
compute.data1D,
input,
everything,
compute.syncDataPoints,
);
compute.data1D = data1D;
compute.hasData1D = hasData1D;
compute.clearPerSync = clearPerSync;
}
output.computes[name] = compute;
}
Expand Down
76 changes: 11 additions & 65 deletions src/modifiers/syncfixesmodifier.ts
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Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
import Modifier from "./modifier";
import { ModifierInput, ModifierOutput } from "./types";
import { processData1D } from "./modifier";

interface SyncFixesModifierProps {
name: string;
Expand Down Expand Up @@ -49,71 +50,16 @@ class SyncFixesModifier extends Modifier {
fix.yLabel = fix.lmpFix.getYLabel();
fix.scalarValue = fix.lmpFix.getScalarValue();

// Get data1DNamesWrapper and extract size, then delete immediately
const data1DNamesWrapper = fix.lmpFix.getData1DNames();
fix.hasData1D = data1DNamesWrapper.size() > 0;
const data1DNamesSize = data1DNamesWrapper.size();
data1DNamesWrapper.delete(); // Delete WASM wrapper to prevent memory leak

if (data1DNamesSize > 0) {
fix.clearPerSync = fix.lmpFix.getClearPerSync();
if (fix.data1D == null) {
fix.data1D = {
data: [],
labels: [],
};
}

if ((everything || fix.syncDataPoints) && fix.data1D) {
// Data points is only for plotting figures
if (fix.clearPerSync) {
// For histograms (compute rdf etc) we don't have time as x axis, so we clear every time
fix.data1D.data = [];
}

const lengthBeforeWeStart = fix.data1D.data.length; // Used to avoid coping all data every time

if (fix.data1D.labels.length === 0) {
// First label is never visible
fix.data1D.labels.push("x");
}

// Get data1DVector once before the loop for better performance
const data1DVector = fix.lmpFix.getData1D();

for (let j = 0; j < data1DNamesSize; j++) {
const lmpData = data1DVector.get(j);

if (fix.data1D.labels.length - 1 === j) {
// Add missing labels
fix.data1D.labels.push(lmpData.getLabel());
}

const xValuesPointer = lmpData.getXValuesPointer() / 4;
const yValuesPointer = lmpData.getYValuesPointer() / 4;
const xValues = input.wasm.HEAPF32.subarray(
xValuesPointer,
xValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
const yValues = input.wasm.HEAPF32.subarray(
yValuesPointer,
yValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
for (let k = lengthBeforeWeStart; k < xValues.length; k++) {
if (j === 0) {
fix.data1D.data.push([xValues[k]]);
}
fix.data1D.data[k].push(yValues[k]);
}

// Delete the Data1D copy to prevent memory leak
lmpData.delete();
}

// Delete the vector wrapper after the loop to prevent memory leak
data1DVector.delete();
}
}
const { data1D, hasData1D, clearPerSync } = processData1D(
fix.lmpFix,
fix.data1D,
input,
everything,
fix.syncDataPoints,
);
fix.data1D = data1D;
fix.hasData1D = hasData1D;
fix.clearPerSync = clearPerSync;
output.fixes[name] = fix;
}
};
Expand Down
76 changes: 11 additions & 65 deletions src/modifiers/syncvariablesmodifier.ts
View file
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Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
import Modifier from "./modifier";
import { ModifierInput, ModifierOutput } from "./types";
import { processData1D } from "./modifier";

interface SyncVariablesModifierProps {
name: string;
Expand Down Expand Up @@ -51,71 +52,16 @@ class SyncVariablesModifier extends Modifier {
variable.scalarValue = variable.lmpVariable.getScalarValue();
variable.hasScalarData = variable.lmpVariable.hasScalarData();

// Get data1DNamesWrapper and extract size, then delete immediately
const data1DNamesWrapper = variable.lmpVariable.getData1DNames();
variable.hasData1D = data1DNamesWrapper.size() > 0;
const data1DNamesSize = data1DNamesWrapper.size();
data1DNamesWrapper.delete(); // Delete WASM wrapper to prevent memory leak

if (data1DNamesSize > 0) {
variable.clearPerSync = variable.lmpVariable.getClearPerSync();
if (variable.data1D == null) {
variable.data1D = {
data: [],
labels: [],
};
}

if ((everything || variable.syncDataPoints) && variable.data1D) {
// Data points is only for plotting figures
if (variable.clearPerSync) {
// For histograms (compute rdf etc) we don't have time as x axis, so we clear every time
variable.data1D.data = [];
}

const lengthBeforeWeStart = variable.data1D.data.length; // Used to avoid coping all data every time

if (variable.data1D.labels.length === 0) {
// First label is never visible
variable.data1D.labels.push("x");
}

// Get data1DVector once before the loop for better performance
const data1DVector = variable.lmpVariable.getData1D();

for (let j = 0; j < data1DNamesSize; j++) {
const lmpData = data1DVector.get(j);

if (variable.data1D.labels.length - 1 === j) {
// Add missing labels
variable.data1D.labels.push(lmpData.getLabel());
}

const xValuesPointer = lmpData.getXValuesPointer() / 4;
const yValuesPointer = lmpData.getYValuesPointer() / 4;
const xValues = input.wasm.HEAPF32.subarray(
xValuesPointer,
xValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
const yValues = input.wasm.HEAPF32.subarray(
yValuesPointer,
yValuesPointer + lmpData.getNumPoints(),
) as Float32Array;
for (let k = lengthBeforeWeStart; k < xValues.length; k++) {
if (j === 0) {
variable.data1D.data.push([xValues[k]]);
}
variable.data1D.data[k].push(yValues[k]);
}

// Delete the Data1D copy to prevent memory leak
lmpData.delete();
}

// Delete the vector wrapper after the loop to prevent memory leak
data1DVector.delete();
}
}
const { data1D, hasData1D, clearPerSync } = processData1D(
variable.lmpVariable,
variable.data1D,
input,
everything,
variable.syncDataPoints,
);
variable.data1D = data1D;
variable.hasData1D = hasData1D;
variable.clearPerSync = clearPerSync;
output.variables[name] = variable;
}
};
Expand Down