@complat/react-spectra-editor 1.0.0-rc2 → 1.0.0-rc20.patch-1

package/dist/__tests__/fixtures/nmr_result.js

@@ -0,0 +1,68 @@
+"use strict";
+
+var _interopRequireDefault = require("@babel/runtime/helpers/interopRequireDefault");
+Object.defineProperty(exports, "__esModule", {
+  value: true
+});
+exports.default = void 0;
+var _nmr_svg = _interopRequireDefault(require("./nmr_svg"));
+/* eslint-disable */
+
+const nmrResult = {
+  outline: {
+    code: 200,
+    text: 'Load from files.'
+  },
+  output: {
+    result: [{
+      id: 1,
+      type: 'nmr;13C;1d',
+      svgs: [_nmr_svg.default],
+      statistics: {
+        accept: 0,
+        warning: 0,
+        reject: 5,
+        missing: 1,
+        total: 6
+      },
+      shifts: [{
+        atom: 1,
+        prediction: 135.5500030517578,
+        real: 117.0,
+        diff: 18.550003051757812,
+        status: 'accept'
+      }, {
+        atom: 3,
+        prediction: 139.1999969482422,
+        real: 123.0,
+        diff: 16.199996948242188,
+        status: 'warning'
+      }, {
+        atom: 2,
+        prediction: 121.5999984741211,
+        real: 103.0,
+        diff: 18.599998474121094,
+        status: 'reject'
+      }, {
+        atom: 3,
+        prediction: 139.1999969482422,
+        real: 123.0,
+        diff: 16.199996948242188,
+        status: 'reject'
+      }, {
+        atom: 2,
+        prediction: 121.5999984741211,
+        real: 103.0,
+        diff: 18.599998474121094,
+        status: 'reject'
+      }, {
+        atom: 4,
+        prediction: 147.13500213623047,
+        real: 0.0,
+        diff: 0.0,
+        status: 'missing'
+      }]
+    }]
+  }
+};
+var _default = exports.default = nmrResult;

package/dist/__tests__/fixtures/nmr_svg.js

@@ -0,0 +1,8 @@
+"use strict";
+
+Object.defineProperty(exports, "__esModule", {
+  value: true
+});
+exports.default = void 0;
+const nmrSvg = "<?xml version='1.0' encoding='iso-8859-1'?>\n<svg version='1.1' baseProfile='full'\n              xmlns:svg='http://www.w3.org/2000/svg'\n                      xmlns:rdkit='http://www.rdkit.org/xml'\n                      xmlns:xlink='http://www.w3.org/1999/xlink'\n                  xml:space='preserve'\nwidth='400px' height='400px' >\n<rect style='opacity:1.0;fill:#FFFFFF;stroke:none' width='400' height='400' x='0' y='0'> </rect>\n<ellipse cx='227.791' cy='185.195' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='172.203' cy='217.289' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='227.791' cy='313.58' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='172.203' cy='281.479' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='283.386' cy='281.486' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='283.379' cy='217.289' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='116.614' cy='185.195' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='259.886' cy='86.4197' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='195.696' cy='86.4197' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='61.0263' cy='217.289' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<ellipse cx='338.974' cy='185.195' rx='25.6758' ry='25.6758' style='fill:#FF7F7F;fill-rule:evenodd;stroke:#FF7F7F;stroke-width:1px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 222.785,188.085 177.209,214.399' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 232.797,181.558 253.256,166.696' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 253.256,166.696 273.715,151.833' style='fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 222.785,181.557 202.329,166.692' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 202.329,166.692 181.873,151.828' style='fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 232.797,188.085 278.373,214.399' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 172.203,224.789 172.203,273.979' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 167.197,214.399 121.62,188.085' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 222.785,310.689 177.209,284.37' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 232.797,310.69 278.38,284.375' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 283.385,273.986 283.38,224.789' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 285.503,289.379 307.292,301.956' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 307.292,301.956 329.081,314.534' style='fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 291.28,279.372 313.068,291.95' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 313.068,291.95 334.857,304.527' style='fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 288.385,214.4 328.962,190.975' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 111.608,188.085 71.0383,211.509' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 277.284,139.97 269.803,116.945' style='fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 269.803,116.945 262.322,93.9197' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 249.874,86.4197 205.708,86.4197' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 193.26,93.9197 185.782,116.942' style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<path d='M 185.782,116.942 178.304,139.964' style='fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1' />\n<text x='222.785' y='192.695' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>1</tspan></text>\n<text x='167.197' y='224.789' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>2</tspan></text>\n<text x='222.785' y='321.08' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>3</tspan></text>\n<text x='167.197' y='288.979' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>4</tspan></text>\n<text x='278.38' y='288.986' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>5</tspan></text>\n<text x='278.373' y='224.789' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>6</tspan></text>\n<text x='331.969' y='321.074' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000' ><tspan>O</tspan></text>\n<text x='111.608' y='192.695' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>8</tspan></text>\n<text x='273.715' y='154.97' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#CCCC00' ><tspan>S</tspan></text>\n<text x='249.874' y='93.9197' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>10</tspan></text>\n<text x='185.684' y='93.9197' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>11</tspan></text>\n<text x='169.863' y='154.964' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#CCCC00' ><tspan>S</tspan></text>\n<text x='51.0143' y='224.789' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>13</tspan></text>\n<text x='328.962' y='192.695' style='font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000' ><tspan>14</tspan></text>\n</svg>\n";
+var _default = exports.default = nmrSvg;

package/dist/__tests__/fixtures/phenylalanin.js

@@ -0,0 +1,142 @@
+"use strict";
+
+Object.defineProperty(exports, "__esModule", {
+  value: true
+});
+exports.default = void 0;
+/* eslint-disable */
+
+const path = 'https://upload.wikimedia.org/wikipedia/commons/7/7a/L-Phenylalanin_-_L-Phenylalanine.svg';
+const svg = `
+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<!-- Generator: Adobe Illustrator 12.0.1, SVG Export Plug-In . SVG Version: 6.00 Build 51448)  -->
+<svg
+   xmlns:dc="http://purl.org/dc/elements/1.1/"
+   xmlns:cc="http://web.resource.org/cc/"
+   xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
+   xmlns:svg="http://www.w3.org/2000/svg"
+   xmlns="http://www.w3.org/2000/svg"
+   xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd"
+   xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
+   version="1.1"
+   id="Layer_1"
+   width="231.759"
+   height="128.034"
+   viewBox="0 0 231.759 128.034"
+   style="overflow:visible;enable-background:new 0 0 231.759 128.034;"
+   xml:space="preserve"
+   sodipodi:version="0.32"
+   inkscape:version="0.45.1"
+   sodipodi:docname="L-Phenylalanin.svg"
+   inkscape:output_extension="org.inkscape.output.svg.inkscape"
+   sodipodi:docbase="C:\"><metadata
+   id="metadata58"><rdf:RDF><cc:Work
+       rdf:about=""><dc:format>image/svg+xml</dc:format><dc:type
+         rdf:resource="http://purl.org/dc/dcmitype/StillImage" /></cc:Work></rdf:RDF></metadata><defs
+   id="defs56" /><sodipodi:namedview
+   inkscape:window-height="579"
+   inkscape:window-width="801"
+   inkscape:pageshadow="2"
+   inkscape:pageopacity="0.0"
+   guidetolerance="10.0"
+   gridtolerance="10.0"
+   objecttolerance="10.0"
+   borderopacity="1.0"
+   bordercolor="#666666"
+   pagecolor="#ffffff"
+   id="base"
+   inkscape:zoom="2.9523409"
+   inkscape:cx="115.8795"
+   inkscape:cy="64.016998"
+   inkscape:window-x="198"
+   inkscape:window-y="198"
+   inkscape:current-layer="Layer_1" />
+<path
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+   id="polygon3" />
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+   id="polygon5" />
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+   id="path9" />
+	<path
+   d="M 218.306,76.984 L 218.306,59.797 L 220.587,59.797 L 220.587,66.86 L 229.478,66.86 L 229.478,59.797 L 231.759,59.797 L 231.759,76.985 L 229.478,76.985 L 229.478,68.891 L 220.587,68.891 L 220.587,76.985 L 218.306,76.985 L 218.306,76.984 z "
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+<path
+   d="M 39.281475,49.4516 L 39.281475,47.59815 L 71.914925,66.40815 L 71.914925,67.35815 L 71.106475,67.83315 L 39.281475,49.4516 z "
+   id="polygon37" />
+<path
+   d="M 38.854925,55.72065 L 39.661475,54.3441 L 66.642425,69.92315 L 65.833975,71.34815 L 38.854925,55.72065 z "
+   id="polygon39" />
+<path
+   d="M 7.408975,67.83315 L 5.793975,66.88315 L 39.281475,47.59815 L 39.281475,49.4516 L 7.408975,67.83315 z "
+   id="polygon41" />
+<path
+   d="M 7.408975,104.59815 L 5.793975,105.54815 L 5.793975,66.88315 L 7.408975,67.83315 L 7.408975,104.59815 z "
+   id="polygon43" />
+<path
+   d="M 11.446475,70.635651 L 13.061475,70.635651 L 13.061475,101.79565 L 11.446475,101.79565 L 11.446475,70.635651 z "
+   id="rect45" />
+<path
+   d="M 39.281475,122.98065 L 39.281475,124.83315 L 5.793975,105.54815 L 7.408975,104.59815 L 39.281475,122.98065 z "
+   id="polygon47" />
+<path
+   d="M 71.106475,104.59815 L 72.721475,105.54815 L 39.281475,124.83315 L 39.281475,122.98065 L 71.106475,104.59815 z "
+   id="polygon49" />
+<path
+   d="M 65.833975,101.08315 L 66.642425,102.50815 L 39.661475,118.0891 L 38.854925,116.6641 L 65.833975,101.08315 z "
+   id="polygon51" />
+<path
+   d="M 71.106475,67.83315 L 71.914925,67.35815 L 72.721475,67.83315 L 72.721475,105.54815 L 71.106475,104.59815 L 71.106475,67.83315 z "
+   id="polygon53" />
+</svg>
+`;
+const Phenylalanin = {
+  path,
+  svg
+};
+var _default = exports.default = Phenylalanin;

package/dist/__tests__/fixtures/qDescValue.js

@@ -0,0 +1,65 @@
+"use strict";
+
+Object.defineProperty(exports, "__esModule", {
+  value: true
+});
+exports.qIR = exports.q1H = exports.q13C = void 0;
+const q1H = exports.q1H = [{
+  insert: ' '
+}, {
+  insert: '1',
+  attributes: {
+    script: 'super'
+  }
+}, {
+  insert: 'H NMR (400 MHz, TFH-d8 [2.09 ppm], ppm) δ = '
+}, {
+  insert: '6.41 (quint, '
+}, {
+  insert: 'J',
+  attributes: {
+    italic: true
+  }
+}, {
+  insert: ' = 1.8 Hz, 3H), '
+}, {
+  insert: '8.05 (ddd, '
+}, {
+  insert: 'J',
+  attributes: {
+    italic: true
+  }
+}, {
+  insert: ' = 0.7, '
+}, {
+  insert: 'J',
+  attributes: {
+    italic: true
+  }
+}, {
+  insert: ' = 2.0, '
+}, {
+  insert: 'J',
+  attributes: {
+    italic: true
+  }
+}, {
+  insert: ' = 37.4, 3H), '
+}, {
+  insert: '14.95 (s, 1H)'
+}, {
+  insert: '.'
+}];
+const qIR = exports.qIR = [{
+  insert: ' '
+}, {
+  insert: 'IR (ATR, ṽ) = 3542 (vw), 1750 (m), 1266 (vs) cm'
+}, {
+  insert: '-1',
+  attributes: {
+    script: 'super'
+  }
+}, {
+  insert: '. '
+}];
+const q13C = exports.q13C = 'TBD';