diff --git a/package.json b/package.json index 79869ed..90630c2 100644 --- a/package.json +++ b/package.json @@ -23,12 +23,10 @@ "dependencies": { "@emotion/react": "^11.7.0", "@emotion/styled": "^11.6.0", - "@mui/material": "^5.2.2", - "@types/heatmap.js": "^2.0.37", "chroma-js": "^2.4.2", "d3": "^7.6.1", "heatmap.js": "^2.0.5", - "kdbush": "^3.0.0", + "kdbush": "^4.0.2", "simple-statistics": "^7.7.0", "svg-path-bounds": "^1.0.2" }, @@ -63,7 +61,7 @@ "@testing-library/jest-dom": "^5.11.9", "@types/chroma-js": "^2.1.4", "@types/d3": "^7.4.0", - "@types/kdbush": "^3.0.0", + "@types/heatmap.js": "^2.0.37", "@types/react": "^18.0.6", "@types/react-dom": "^18.0.6", "copy-webpack-plugin": "^11.0.0", diff --git a/src/components/molecule/MoleculeViews.tsx b/src/components/molecule/MoleculeViews.tsx index 74aa278..93cfd20 100644 --- a/src/components/molecule/MoleculeViews.tsx +++ b/src/components/molecule/MoleculeViews.tsx @@ -55,7 +55,7 @@ interface State { molecule: Molecule; mouseOverChange: boolean; viewsConfig: MoleculeViewsConfig; - kdTreeForAtoms: KDBush | undefined; + kdTreeForAtoms: KDBush | undefined; mouseOverVertices: Vertex[]; } @@ -185,13 +185,12 @@ class MoleculeViews extends React.Component { this.setState({ mouseOverVertices: hoverVertices }); } } else { - const index = new KDBush( - molecule.vertices, // vertices, - (e) => e!.position.x, - (e) => e!.position.y, - 1, - Int16Array, - ); + const index = new KDBush(molecule.vertices.length); + molecule.vertices.forEach((v) => { + index.add(v.position.x, v.position.y); + }); + index.finish(); + this.setState({ kdTreeForAtoms: index }); } } diff --git a/yarn.lock b/yarn.lock index d832e51..ecff1b3 100644 --- a/yarn.lock +++ b/yarn.lock @@ -60,7 +60,7 @@ dependencies: "@babel/types" "^7.25.8" -"@babel/runtime@^7.12.5", "@babel/runtime@^7.18.3", "@babel/runtime@^7.23.9", "@babel/runtime@^7.5.5", "@babel/runtime@^7.8.7", "@babel/runtime@^7.9.2": +"@babel/runtime@^7.12.5", "@babel/runtime@^7.18.3", "@babel/runtime@^7.9.2": version "7.25.7" resolved "https://registry.yarnpkg.com/@babel/runtime/-/runtime-7.25.7.tgz#7ffb53c37a8f247c8c4d335e89cdf16a2e0d0fb6" integrity sha512-FjoyLe754PMiYsFaN5C94ttGiOmBNYTf6pLr4xXHAT5uctHb092PBszndLDR5XA/jghQvn4n7JMHl7dmTgbm9w== @@ -120,7 +120,7 @@ source-map "^0.5.7" stylis "4.2.0" -"@emotion/cache@^11.11.0", "@emotion/cache@^11.13.0": +"@emotion/cache@^11.13.0": version "11.13.1" resolved "https://registry.yarnpkg.com/@emotion/cache/-/cache-11.13.1.tgz#fecfc54d51810beebf05bf2a161271a1a91895d7" integrity sha512-iqouYkuEblRcXmylXIwwOodiEK5Ifl7JcX7o6V4jI3iW4mLXX3dmt5xwBtIkJiQEXFAI+pC8X0i67yiPkH9Ucw== @@ -281,79 +281,6 @@ resolved "https://registry.yarnpkg.com/@leichtgewicht/ip-codec/-/ip-codec-2.0.5.tgz#4fc56c15c580b9adb7dc3c333a134e540b44bfb1" integrity sha512-Vo+PSpZG2/fmgmiNzYK9qWRh8h/CHrwD0mo1h1DzL4yzHNSfWYujGTYsWGreD000gcgmZ7K4Ys6Tx9TxtsKdDw== -"@mui/core-downloads-tracker@^5.16.7": - version "5.16.7" - resolved "https://registry.yarnpkg.com/@mui/core-downloads-tracker/-/core-downloads-tracker-5.16.7.tgz#182a325a520f7ebd75de051fceabfc0314cfd004" - integrity sha512-RtsCt4Geed2/v74sbihWzzRs+HsIQCfclHeORh5Ynu2fS4icIKozcSubwuG7vtzq2uW3fOR1zITSP84TNt2GoQ== - -"@mui/material@^5.2.2": - version "5.16.7" - resolved "https://registry.yarnpkg.com/@mui/material/-/material-5.16.7.tgz#6e814e2eefdaf065a769cecf549c3569e107a50b" - integrity sha512-cwwVQxBhK60OIOqZOVLFt55t01zmarKJiJUWbk0+8s/Ix5IaUzAShqlJchxsIQ4mSrWqgcKCCXKtIlG5H+/Jmg== - dependencies: - "@babel/runtime" "^7.23.9" - "@mui/core-downloads-tracker" "^5.16.7" - "@mui/system" "^5.16.7" - "@mui/types" "^7.2.15" - "@mui/utils" "^5.16.6" - "@popperjs/core" "^2.11.8" - "@types/react-transition-group" "^4.4.10" - clsx "^2.1.0" - csstype "^3.1.3" - prop-types "^15.8.1" - react-is "^18.3.1" - react-transition-group "^4.4.5" - -"@mui/private-theming@^5.16.6": - version "5.16.6" - resolved "https://registry.yarnpkg.com/@mui/private-theming/-/private-theming-5.16.6.tgz#547671e7ae3f86b68d1289a0b90af04dfcc1c8c9" - integrity sha512-rAk+Rh8Clg7Cd7shZhyt2HGTTE5wYKNSJ5sspf28Fqm/PZ69Er9o6KX25g03/FG2dfpg5GCwZh/xOojiTfm3hw== - dependencies: - "@babel/runtime" "^7.23.9" - "@mui/utils" "^5.16.6" - prop-types "^15.8.1" - -"@mui/styled-engine@^5.16.6": - version "5.16.6" - resolved "https://registry.yarnpkg.com/@mui/styled-engine/-/styled-engine-5.16.6.tgz#60110c106dd482dfdb7e2aa94fd6490a0a3f8852" - integrity sha512-zaThmS67ZmtHSWToTiHslbI8jwrmITcN93LQaR2lKArbvS7Z3iLkwRoiikNWutx9MBs8Q6okKvbZq1RQYB3v7g== - dependencies: - "@babel/runtime" "^7.23.9" - "@emotion/cache" "^11.11.0" - csstype "^3.1.3" - prop-types "^15.8.1" - -"@mui/system@^5.16.7": - version "5.16.7" - resolved "https://registry.yarnpkg.com/@mui/system/-/system-5.16.7.tgz#4583ca5bf3b38942e02c15a1e622ba869ac51393" - integrity sha512-Jncvs/r/d/itkxh7O7opOunTqbbSSzMTHzZkNLM+FjAOg+cYAZHrPDlYe1ZGKUYORwwb2XexlWnpZp0kZ4AHuA== - dependencies: - "@babel/runtime" "^7.23.9" - "@mui/private-theming" "^5.16.6" - "@mui/styled-engine" "^5.16.6" - "@mui/types" "^7.2.15" - "@mui/utils" "^5.16.6" - clsx "^2.1.0" - csstype "^3.1.3" - prop-types "^15.8.1" - -"@mui/types@^7.2.15": - version "7.2.18" - resolved "https://registry.yarnpkg.com/@mui/types/-/types-7.2.18.tgz#4b6385ed2f7828ef344113cdc339d6fdf8e4bc23" - integrity sha512-uvK9dWeyCJl/3ocVnTOS6nlji/Knj8/tVqVX03UVTpdmTJYu/s4jtDd9Kvv0nRGE0CUSNW1UYAci7PYypjealg== - -"@mui/utils@^5.16.6": - version "5.16.6" - resolved "https://registry.yarnpkg.com/@mui/utils/-/utils-5.16.6.tgz#905875bbc58d3dcc24531c3314a6807aba22a711" - integrity sha512-tWiQqlhxAt3KENNiSRL+DIn9H5xNVK6Jjf70x3PnfQPz1MPBdh7yyIcAyVBT9xiw7hP3SomRhPR7hzBMBCjqEA== - dependencies: - "@babel/runtime" "^7.23.9" - "@mui/types" "^7.2.15" - "@types/prop-types" "^15.7.12" - clsx "^2.1.1" - prop-types "^15.8.1" - react-is "^18.3.1" - "@nodelib/fs.scandir@2.1.5": version "2.1.5" resolved "https://registry.yarnpkg.com/@nodelib/fs.scandir/-/fs.scandir-2.1.5.tgz#7619c2eb21b25483f6d167548b4cfd5a7488c3d5" @@ -458,11 +385,6 @@ "@parcel/watcher-win32-ia32" "2.4.1" "@parcel/watcher-win32-x64" "2.4.1" -"@popperjs/core@^2.11.8": - version "2.11.8" - resolved "https://registry.yarnpkg.com/@popperjs/core/-/core-2.11.8.tgz#6b79032e760a0899cd4204710beede972a3a185f" - integrity sha512-P1st0aksCrn9sGZhp8GMYwBnQsbvAWsZAX44oXNNvLHGqAOcoVxmjZiohstwQ7SqKnbR47akdNi+uleWD8+g6A== - "@sinclair/typebox@^0.27.8": version "0.27.8" resolved "https://registry.yarnpkg.com/@sinclair/typebox/-/typebox-0.27.8.tgz#6667fac16c436b5434a387a34dedb013198f6e6e" @@ -834,7 +756,7 @@ resolved "https://registry.yarnpkg.com/@types/json-schema/-/json-schema-7.0.15.tgz#596a1747233694d50f6ad8a7869fcb6f56cf5841" integrity sha512-5+fP8P8MFNC+AyZCDxrB2pkZFPGzqQWUzpSeuuVLvm8VMcorNYavBqoFcxK8bQz4Qsbn4oUEEem4wDLfcysGHA== -"@types/kdbush@^3.0.0": +"@types/kdbush@^3.0.5": version "3.0.5" resolved "https://registry.yarnpkg.com/@types/kdbush/-/kdbush-3.0.5.tgz#7c308f18d364ac5623a15b85d7da0a635cf5516e" integrity sha512-tdJz7jaWFu4nR+8b2B+CdPZ6811ighYylWsu2hpsivapzW058yP0KdfZuNY89IiRe5jbKvBGXN3LQdN2KPXVdQ== @@ -888,7 +810,7 @@ resolved "https://registry.yarnpkg.com/@types/parse-json/-/parse-json-4.0.2.tgz#5950e50960793055845e956c427fc2b0d70c5239" integrity sha512-dISoDXWWQwUquiKsyZ4Ng+HX2KsPL7LyHKHQwgGFEA3IaKac4Obd+h2a/a6waisAoepJlBcx9paWqjA8/HVjCw== -"@types/prop-types@*", "@types/prop-types@^15.7.12": +"@types/prop-types@*": version "15.7.13" resolved "https://registry.yarnpkg.com/@types/prop-types/-/prop-types-15.7.13.tgz#2af91918ee12d9d32914feb13f5326658461b451" integrity sha512-hCZTSvwbzWGvhqxp/RqVqwU999pBf2vp7hzIjiYOsl8wqOmUxkQ6ddw1cV3l8811+kdUFus/q4d1Y3E3SyEifA== @@ -910,13 +832,6 @@ dependencies: "@types/react" "*" -"@types/react-transition-group@^4.4.10": - version "4.4.11" - resolved "https://registry.yarnpkg.com/@types/react-transition-group/-/react-transition-group-4.4.11.tgz#d963253a611d757de01ebb241143b1017d5d63d5" - integrity sha512-RM05tAniPZ5DZPzzNFP+DmrcOdD0efDUxMy3145oljWSl3x9ZV5vhme98gTxFrj2lhXvmGNnUiuDyJgY9IKkNA== - dependencies: - "@types/react" "*" - "@types/react@*", "@types/react@^18.0.6": version "18.3.11" resolved "https://registry.yarnpkg.com/@types/react/-/react-18.3.11.tgz#9d530601ff843ee0d7030d4227ea4360236bd537" @@ -1560,11 +1475,6 @@ clone-deep@^4.0.1: kind-of "^6.0.2" shallow-clone "^3.0.0" -clsx@^2.1.0, clsx@^2.1.1: - version "2.1.1" - resolved "https://registry.yarnpkg.com/clsx/-/clsx-2.1.1.tgz#eed397c9fd8bd882bfb18deab7102049a2f32999" - integrity sha512-eYm0QWBtUrBWZWG0d386OGAw16Z995PiOVo2B7bjWSbHedGl5e0ZWaq65kOGgUSNesEIDkB9ISbTg/JK9dhCZA== - color-convert@^1.9.0: version "1.9.3" resolved "https://registry.yarnpkg.com/color-convert/-/color-convert-1.9.3.tgz#bb71850690e1f136567de629d2d5471deda4c1e8" @@ -1748,7 +1658,7 @@ cssesc@^3.0.0: resolved "https://registry.yarnpkg.com/cssesc/-/cssesc-3.0.0.tgz#37741919903b868565e1c09ea747445cd18983ee" integrity sha512-/Tb/JcjK111nNScGob5MNtsntNM1aCNUDipB/TkwZFhyDrrE47SOx/18wF2bbjgc3ZzCSKW1T5nt5EbFoAz/Vg== -csstype@^3.0.2, csstype@^3.1.3: +csstype@^3.0.2: version "3.1.3" resolved "https://registry.yarnpkg.com/csstype/-/csstype-3.1.3.tgz#d80ff294d114fb0e6ac500fbf85b60137d7eff81" integrity sha512-M1uQkMl8rQK/szD0LNhtqxIPLpimGm8sOBwU7lLnCpSbTyY3yeU1Vc7l4KT5zT4s/yOxHH5O7tIuuLOCnLADRw== @@ -2100,14 +2010,6 @@ dom-converter@^0.2.0: dependencies: utila "~0.4" -dom-helpers@^5.0.1: - version "5.2.1" - resolved "https://registry.yarnpkg.com/dom-helpers/-/dom-helpers-5.2.1.tgz#d9400536b2bf8225ad98fe052e029451ac40e902" - integrity sha512-nRCa7CK3VTrM2NmGkIy4cbK7IZlgBE/PYMn55rrXefr5xXDP0LdtfPnblFDoVdcAfslJ7or6iqAUnx0CCGIWQA== - dependencies: - "@babel/runtime" "^7.8.7" - csstype "^3.0.2" - dom-serializer@^1.0.1: version "1.4.1" resolved "https://registry.yarnpkg.com/dom-serializer/-/dom-serializer-1.4.1.tgz#de5d41b1aea290215dc45a6dae8adcf1d32e2d30" @@ -3012,10 +2914,10 @@ json-schema-traverse@^1.0.0: resolved "https://registry.yarnpkg.com/json-schema-traverse/-/json-schema-traverse-1.0.0.tgz#ae7bcb3656ab77a73ba5c49bf654f38e6b6860e2" integrity sha512-NM8/P9n3XjXhIZn1lLhkFaACTOURQXjWhV4BA/RnOv8xvgqtqpAX9IO4mRQxSx1Rlo4tqzeqb0sOlruaOy3dug== -kdbush@^3.0.0: - version "3.0.0" - resolved "https://registry.yarnpkg.com/kdbush/-/kdbush-3.0.0.tgz#f8484794d47004cc2d85ed3a79353dbe0abc2bf0" - integrity sha512-hRkd6/XW4HTsA9vjVpY9tuXJYLSlelnkTmVFu4M9/7MIYQtFcHpbugAU7UbOfjOiVSVYl2fqgBuJ32JUmRo5Ew== +kdbush@^4.0.2: + version "4.0.2" + resolved "https://registry.yarnpkg.com/kdbush/-/kdbush-4.0.2.tgz#2f7b7246328b4657dd122b6c7f025fbc2c868e39" + integrity sha512-WbCVYJ27Sz8zi9Q7Q0xHC+05iwkm3Znipc2XTlrnJbsHMYktW4hPhXUE8Ys1engBrvffoSCqbil1JQAa7clRpA== kind-of@^6.0.2: version "6.0.3" @@ -3066,7 +2968,7 @@ lodash@^4.17.15, lodash@^4.17.20, lodash@^4.17.21: resolved "https://registry.yarnpkg.com/lodash/-/lodash-4.17.21.tgz#679591c564c3bffaae8454cf0b3df370c3d6911c" integrity sha512-v2kDEe57lecTulaDIuNTPy3Ry4gLGJ6Z1O3vE1krgXZNrsQ+LFTGHVxVjcXPs17LhbZVGedAJv8XZ1tvj5FvSg== -loose-envify@^1.1.0, loose-envify@^1.4.0: +loose-envify@^1.1.0: version "1.4.0" resolved "https://registry.yarnpkg.com/loose-envify/-/loose-envify-1.4.0.tgz#71ee51fa7be4caec1a63839f7e682d8132d30caf" integrity sha512-lyuxPGr/Wfhrlem2CL/UcnUc1zcqKAImBDzukY7Y5F/yQiNdko6+fRLevlw1HgMySw7f611UIY408EtxRSoK3Q== @@ -3306,11 +3208,6 @@ nth-check@^2.0.1: dependencies: boolbase "^1.0.0" -object-assign@^4.1.1: - version "4.1.1" - resolved "https://registry.yarnpkg.com/object-assign/-/object-assign-4.1.1.tgz#2109adc7965887cfc05cbbd442cac8bfbb360863" - integrity sha512-rJgTQnkUnH1sFw8yT6VSU3zD3sWmu6sZhIseY8VX+GRu3P6F7Fu+JNDoXfklElbLJSnc3FUQHVe4cU5hj+BcUg== - object-inspect@^1.13.1: version "1.13.2" resolved "https://registry.yarnpkg.com/object-inspect/-/object-inspect-1.13.2.tgz#dea0088467fb991e67af4058147a24824a3043ff" @@ -3555,15 +3452,6 @@ process-nextick-args@~2.0.0: resolved "https://registry.yarnpkg.com/process-nextick-args/-/process-nextick-args-2.0.1.tgz#7820d9b16120cc55ca9ae7792680ae7dba6d7fe2" integrity sha512-3ouUOpQhtgrbOa17J7+uxOTpITYWaGP7/AhoR3+A+/1e9skrzelGi/dXzEYyvbxubEF6Wn2ypscTKiKJFFn1ag== -prop-types@^15.6.2, prop-types@^15.8.1: - version "15.8.1" - resolved "https://registry.yarnpkg.com/prop-types/-/prop-types-15.8.1.tgz#67d87bf1a694f48435cf332c24af10214a3140b5" - integrity sha512-oj87CgZICdulUohogVAR7AjlC0327U4el4L6eAvOqCeudMDVU0NThNaV+b9Df4dXgSP1gXMTnPdhfe/2qDH5cg== - dependencies: - loose-envify "^1.4.0" - object-assign "^4.1.1" - react-is "^16.13.1" - proxy-addr@~2.0.7: version "2.0.7" resolved "https://registry.yarnpkg.com/proxy-addr/-/proxy-addr-2.0.7.tgz#f19fe69ceab311eeb94b42e70e8c2070f9ba1025" @@ -3634,26 +3522,16 @@ react-dom@^18.3.1: loose-envify "^1.1.0" scheduler "^0.23.2" -react-is@^16.13.1, react-is@^16.7.0: +react-is@^16.7.0: version "16.13.1" resolved "https://registry.yarnpkg.com/react-is/-/react-is-16.13.1.tgz#789729a4dc36de2999dc156dd6c1d9c18cea56a4" integrity sha512-24e6ynE2H+OKt4kqsOvNd8kBpV65zoxbA4BVsEOB3ARVWQki/DHzaUoC5KuON/BiccDaCCTZBuOcfZs70kR8bQ== -react-is@^18.0.0, react-is@^18.3.1: +react-is@^18.0.0: version "18.3.1" resolved "https://registry.yarnpkg.com/react-is/-/react-is-18.3.1.tgz#e83557dc12eae63a99e003a46388b1dcbb44db7e" integrity sha512-/LLMVyas0ljjAtoYiPqYiL8VWXzUUdThrmU5+n20DZv+a+ClRoevUzw5JxU+Ieh5/c87ytoTBV9G1FiKfNJdmg== -react-transition-group@^4.4.5: - version "4.4.5" - resolved "https://registry.yarnpkg.com/react-transition-group/-/react-transition-group-4.4.5.tgz#e53d4e3f3344da8521489fbef8f2581d42becdd1" - integrity sha512-pZcd1MCJoiKiBR2NRxeCRg13uCXbydPnmB4EOeRrY7480qNWO8IIgQG6zlDkm6uRMsURXPuKq0GWtiM59a5Q6g== - dependencies: - "@babel/runtime" "^7.5.5" - dom-helpers "^5.0.1" - loose-envify "^1.4.0" - prop-types "^15.6.2" - react@^18.3.1: version "18.3.1" resolved "https://registry.yarnpkg.com/react/-/react-18.3.1.tgz#49ab892009c53933625bd16b2533fc754cab2891"