multiplet-analysis - npm Package Compare versions

Comparing version 0.0.0 to 0.0.2

lib/index.js

@@ -263,5 +263,17 @@ 'use strict';
             }
+            // end refine
 
-            // end refine
             if (topValue > critFoundJ) {
+              // ugly force value for tests
+              if (
+                forceFirstDeconvolutionToThisValue > 0 &&
+                loopoverJvalues === 1 &&
+                gotJValue === false
+              ) {
+                topPosJ = Math.floor(
+                  forceFirstDeconvolutionToThisValue / resolutionHz,
+                );
+                topValue = 1.1;
+              }
+
               if (debug) console.log(`J:: ${topPosJ * resolutionHz}`);
@@ -435,15 +447,22 @@
   // prepare input for fft apply fftshift
-  let an = [...Array(y.length)].map((x) => Array(2).fill(0)); // n x 2 array
-  let halfNumPt = y.length / 2;
+  let nextPowerTwoAn = Math.pow(
+    2,
+    Math.round(Math.log(y.length - 1) / Math.log(2.0) + 0.5),
+  );
+  let an = [...Array(nextPowerTwoAn)].map(() => Array(2).fill(0)); // n x 2 array
+  const halfNumPt = y.length / 2;
+  const shiftMult = Math.floor((nextPowerTwoAn - y.length) / 2.0);
   for (let loop = 0; loop < halfNumPt; loop++) {
-    an[loop + halfNumPt][0] = y[loop]; //Re
-    an[loop + halfNumPt][1] = 0; //Im
+    an[2 * shiftMult + loop + halfNumPt][0] = y[loop]; //Re
+    an[2 * shiftMult + loop + halfNumPt][1] = 0; //Im
     an[loop][0] = y[loop + halfNumPt]; //Re
     an[loop][1] = 0; //Im
   }
+
   let out = fftJs.ifft(an);
+
   out[0][0] = out[0][0] / 2; // divide first point by 2 Re
   out[0][1] = out[0][1] / 2; // divide first point by 2 Im
   // move to larger array...
-  let an2 = [...Array(nextPowerTwo)].map((x) => Array(2).fill(0)); // n x 2 array
+  let an2 = [...Array(nextPowerTwo)].map(() => Array(2).fill(0)); // n x 2 array
   for (let loop = 0; loop < halfNumPt; loop++) {
@@ -460,14 +479,14 @@ an2[loop][0] = out[loop][0]; //* Math.cos((phase / 180) * Math.PI) +
   let out2 = fftJs.fft(an2);
-  halfNumPt = nextPowerTwo / 2;
+  const halfNumPt2 = nextPowerTwo / 2;
   // applies fftshift
   let phase = addPhaseInterpolation;
-  for (let loop = 0; loop < halfNumPt; loop++) {
-    //spe[loop] = out2[loop + halfNumPt][0]; // only Re now...
+  for (let loop = 0; loop < halfNumPt2; loop++) {
+    //spe[loop] = out2[loop + halfNumPt2][0]; // only Re now...
     spe[loop] =
-      out2[loop + halfNumPt][0] * Math.cos((phase / 180) * Math.PI) +
-      out2[loop + halfNumPt][1] * Math.sin((phase / 180) * Math.PI); // only Re now...
+      out2[loop + halfNumPt2][0] * Math.cos((phase / 180) * Math.PI) +
+      out2[loop + halfNumPt2][1] * Math.sin((phase / 180) * Math.PI); // only Re now...
   }
-  for (let loop = 0; loop < halfNumPt; loop++) {
-    //spe[loop + halfNumPt] = out2[loop][0]; // only Re now...
-    spe[loop + halfNumPt] =
+  for (let loop = 0; loop < halfNumPt2; loop++) {
+    //spe[loop + halfNumPt2] = out2[loop][0]; // only Re now...
+    spe[loop + halfNumPt2] =
       out2[loop][0] * Math.cos((phase / 180) * Math.PI) +
@@ -474,0 +493,0 @@ out2[loop][1] * Math.sin((phase / 180) * Math.PI); // only Re now...

package.json

 {
-  "name": "multiplet-analysis",
-  "version": "0.0.0",
-  "description": "",
-  "main": "lib/index.js",
-  "module": "src/index.js",
-  "files": [
-    "lib",
-    "src"
-  ],
-  "scripts": {
-    "eslint": "eslint src",
-    "eslint-fix": "npm run eslint -- --fix",
-    "prepublishOnly": "rollup -c",
-    "test": "npm run test-coverage && npm run eslint",
-    "test-coverage": "jest --coverage",
-    "test-only": "jest"
-  },
-  "repository": {
-    "type": "git",
-    "url": "git+https://github.com/cheminfo/multiplet-analysis.git"
-  },
-  "keywords": [],
-  "author": "Luc Patiny",
-  "license": "MIT",
-  "bugs": {
-    "url": "https://github.com/cheminfo/multiplet-analysis/issues"
-  },
-  "homepage": "https://github.com/cheminfo/multiplet-analysis#readme",
-  "jest": {
-    "testEnvironment": "node"
-  },
-  "prettier": {
-    "arrowParens": "always",
-    "semi": true,
-    "singleQuote": true,
-    "tabWidth": 2,
-    "trailingComma": "all"
-  },
-  "devDependencies": {
-    "@babel/plugin-transform-modules-commonjs": "^7.7.5",
-    "eslint": "^6.8.0",
-    "eslint-config-cheminfo": "^2.0.4",
-    "eslint-plugin-import": "^2.20.0",
-    "eslint-plugin-jest": "^23.4.0",
-    "eslint-plugin-prettier": "^3.1.2",
-    "esm": "^3.2.25",
-    "jest": "^24.9.0",
-    "nmr-simulation": "^1.0.19",
-    "prettier": "^1.19.1",
-    "rollup": "^1.29.0"
-  },
-  "dependencies": {
-    "fft-js": "0.0.12",
-    "ml-fft": "^1.3.5"
-  }
+	"name": "multiplet-analysis",
+	"version": "0.0.2",
+	"description": "",
+	"main": "lib/index.js",
+	"module": "src/index.js",
+	"files": [
+		"lib",
+		"src"
+	],
+	"scripts": {
+		"eslint": "eslint src",
+		"eslint-fix": "npm run eslint -- --fix",
+		"prepublishOnly": "rollup -c",
+		"test": "npm run test-coverage && npm run eslint",
+		"test-coverage": "jest --coverage",
+		"test-only": "jest"
+	},
+	"repository": {
+		"type": "git",
+		"url": "git+https://github.com/cheminfo/multiplet-analysis.git"
+	},
+	"keywords": [],
+	"author": "Luc Patiny",
+	"license": "MIT",
+	"bugs": {
+		"url": "https://github.com/cheminfo/multiplet-analysis/issues"
+	},
+	"homepage": "https://github.com/cheminfo/multiplet-analysis#readme",
+	"jest": {
+		"testEnvironment": "node"
+	},
+	"prettier": {
+		"arrowParens": "always",
+		"semi": true,
+		"singleQuote": true,
+		"tabWidth": 2,
+		"trailingComma": "all"
+	},
+	"devDependencies": {
+		"@babel/plugin-transform-modules-commonjs": "^7.7.5",
+		"eslint": "^6.8.0",
+		"eslint-config-cheminfo": "^2.0.4",
+		"eslint-plugin-import": "^2.20.0",
+		"eslint-plugin-jest": "^23.4.0",
+		"eslint-plugin-prettier": "^3.1.2",
+		"esm": "^3.2.25",
+		"jest": "^24.9.0",
+		"nmr-simulation": "^1.0.19",
+		"prettier": "^1.19.1",
+		"rollup": "^1.29.0"
+	},
+	"dependencies": {
+		"fft-js": "0.0.12",
+		"ml-fft": "^1.3.5"
+	}
 }

src/index.js

@@ -212,5 +212,17 @@ /**
             }
+            // end refine
 
-            // end refine
             if (topValue > critFoundJ) {
+              // ugly force value for tests
+              if (
+                forceFirstDeconvolutionToThisValue > 0 &&
+                loopoverJvalues === 1 &&
+                gotJValue === false
+              ) {
+                topPosJ = Math.floor(
+                  forceFirstDeconvolutionToThisValue / resolutionHz,
+                );
+                topValue = 1.1;
+              }
+
               if (debug) console.log(`J:: ${topPosJ * resolutionHz}`);
@@ -384,15 +396,22 @@
   // prepare input for fft apply fftshift
-  let an = [...Array(y.length)].map((x) => Array(2).fill(0)); // n x 2 array
-  let halfNumPt = y.length / 2;
+  let nextPowerTwoAn = Math.pow(
+    2,
+    Math.round(Math.log(y.length - 1) / Math.log(2.0) + 0.5),
+  );
+  let an = [...Array(nextPowerTwoAn)].map(() => Array(2).fill(0)); // n x 2 array
+  const halfNumPt = y.length / 2;
+  const shiftMult = Math.floor((nextPowerTwoAn - y.length) / 2.0);
   for (let loop = 0; loop < halfNumPt; loop++) {
-    an[loop + halfNumPt][0] = y[loop]; //Re
-    an[loop + halfNumPt][1] = 0; //Im
+    an[2 * shiftMult + loop + halfNumPt][0] = y[loop]; //Re
+    an[2 * shiftMult + loop + halfNumPt][1] = 0; //Im
     an[loop][0] = y[loop + halfNumPt]; //Re
     an[loop][1] = 0; //Im
   }
+
   let out = ifft(an);
+
   out[0][0] = out[0][0] / 2; // divide first point by 2 Re
   out[0][1] = out[0][1] / 2; // divide first point by 2 Im
   // move to larger array...
-  let an2 = [...Array(nextPowerTwo)].map((x) => Array(2).fill(0)); // n x 2 array
+  let an2 = [...Array(nextPowerTwo)].map(() => Array(2).fill(0)); // n x 2 array
   for (let loop = 0; loop < halfNumPt; loop++) {
@@ -409,14 +428,14 @@ an2[loop][0] = out[loop][0]; //* Math.cos((phase / 180) * Math.PI) +
   let out2 = fft(an2);
-  halfNumPt = nextPowerTwo / 2;
+  const halfNumPt2 = nextPowerTwo / 2;
   // applies fftshift
   let phase = addPhaseInterpolation;
-  for (let loop = 0; loop < halfNumPt; loop++) {
-    //spe[loop] = out2[loop + halfNumPt][0]; // only Re now...
+  for (let loop = 0; loop < halfNumPt2; loop++) {
+    //spe[loop] = out2[loop + halfNumPt2][0]; // only Re now...
     spe[loop] =
-      out2[loop + halfNumPt][0] * Math.cos((phase / 180) * Math.PI) +
-      out2[loop + halfNumPt][1] * Math.sin((phase / 180) * Math.PI); // only Re now...
+      out2[loop + halfNumPt2][0] * Math.cos((phase / 180) * Math.PI) +
+      out2[loop + halfNumPt2][1] * Math.sin((phase / 180) * Math.PI); // only Re now...
   }
-  for (let loop = 0; loop < halfNumPt; loop++) {
-    //spe[loop + halfNumPt] = out2[loop][0]; // only Re now...
-    spe[loop + halfNumPt] =
+  for (let loop = 0; loop < halfNumPt2; loop++) {
+    //spe[loop + halfNumPt2] = out2[loop][0]; // only Re now...
+    spe[loop + halfNumPt2] =
       out2[loop][0] * Math.cos((phase / 180) * Math.PI) +
@@ -423,0 +442,0 @@ out2[loop][1] * Math.sin((phase / 180) * Math.PI); // only Re now...

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Total package byte prevSize

46627

increased by5.35%

Number of package files

8

increased by14.29%

Lines of code

1282

increased by5.78%

No dependency changes