Commit d6cf66ec authored by Jacob Durrant's avatar Jacob Durrant

Default exhaustiveness now 8. Vina 1.1.2 message in console.

parent 5af6835b
......@@ -19,7 +19,9 @@
// There are a few variables and functions from vina.js that I want to easily
// access from here.
var VERSION = "1.0.0"; // Replaced by compile script.
console.log("Webina JavaScript Library " + VERSION);
console.log("Webina Library " + VERSION);
console.log(" Compiled from Vina 1.1.2 codebase:");
console.log(" http://vina.scripps.edu/");
var WEBINA_Module;
// A shiv for decodeBase64.
var decodeBase64 = "function" == typeof atob ? atob : function (r) {
......
......@@ -19,10 +19,11 @@ $jscomp.SymbolClass=function(a,c){this.$jscomp$symbol$id_=a;$jscomp.defineProper
$jscomp.initSymbolIterator=function(){$jscomp.initSymbol();var a=$jscomp.global.Symbol.iterator;a||(a=$jscomp.global.Symbol.iterator=$jscomp.global.Symbol("Symbol.iterator"));"function"!=typeof Array.prototype[a]&&$jscomp.defineProperty(Array.prototype,a,{configurable:!0,writable:!0,value:function(){return $jscomp.iteratorPrototype($jscomp.arrayIteratorImpl(this))}});$jscomp.initSymbolIterator=function(){}};
$jscomp.initSymbolAsyncIterator=function(){$jscomp.initSymbol();var a=$jscomp.global.Symbol.asyncIterator;a||(a=$jscomp.global.Symbol.asyncIterator=$jscomp.global.Symbol("Symbol.asyncIterator"));$jscomp.initSymbolAsyncIterator=function(){}};$jscomp.iteratorPrototype=function(a){$jscomp.initSymbolIterator();a={next:a};a[$jscomp.global.Symbol.iterator]=function(){return this};return a};
$jscomp.iteratorFromArray=function(a,c){$jscomp.initSymbolIterator();a instanceof String&&(a+="");var b=0,d={next:function(){if(b<a.length){var e=b++;return{value:c(e,a[e]),done:!1}}d.next=function(){return{done:!0,value:void 0}};return d.next()}};d[Symbol.iterator]=function(){return d};return d};
$jscomp.polyfill=function(a,c,b,d){if(c){b=$jscomp.global;a=a.split(".");for(d=0;d<a.length-1;d++){var e=a[d];e in b||(b[e]={});b=b[e]}a=a[a.length-1];d=b[a];c=c(d);c!=d&&null!=c&&$jscomp.defineProperty(b,a,{configurable:!0,writable:!0,value:c})}};$jscomp.polyfill("Array.prototype.keys",function(a){return a?a:function(){return $jscomp.iteratorFromArray(this,function(a){return a})}},"es6","es3");var VERSION="1.0.0";console.log("Webina JavaScript Library "+VERSION);
var WEBINA_Module,decodeBase64="function"==typeof atob?atob:function(a){var c,b,d,e,f,m,g="",h=0;for(a=a.replace(/[^A-Za-z0-9\+\/=]/g,"");c="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))<<2|(e="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>4,b=(15&e)<<4|(f="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>2,d=(3&f)<<6|(m="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))),
g+=String.fromCharCode(c),64!==f&&(g+=String.fromCharCode(b)),64!==m&&(g+=String.fromCharCode(d)),h<a.length;)return g},Webina=function(){return{WEBINA_ENVIRONMENT_IS_NODE:window.WEBINA_ENVIRONMENT_IS_NODE,WEBINA_lengthBytesUTF8:window.WEBINA_lengthBytesUTF8,WEBINA_stringToUTF8Array:window.WEBINA_stringToUTF8Array,WEBINA_assert:window.WEBINA_assert,WEBINA_ASSERTIONS:1,WEBINA_DATA_URI_PREFIX:"data:application/octet-stream;base64,",WEBINA_BASE_URL:"./",FS:window.FS,start:function(a,c,b,d,e,f){var m=
this,g="\nWEBINA\n======\n\n";void 0!==f?("/"!==f.slice(f.length-1)&&(f+="/"),this.WEBINA_BASE_URL=f,g+="User specified baseUrl: "+f+"\n"):g+="No baseUrl specified, so using ./\n\nUse Webina.start() to specify the baseUrl:\n function start(vinaParams, receptorPDBQTTxt, \n ligandPDBQTTxt, onDone, \n onError, baseUrl)\n";g+="\nExpecting files at the following locations:\n";for(var h=0;5>h;h++)g+=" "+(void 0===f?"./":f)+["Webina.min.min.js","vina.html.mem","vina.min.min.js",
$jscomp.polyfill=function(a,c,b,d){if(c){b=$jscomp.global;a=a.split(".");for(d=0;d<a.length-1;d++){var e=a[d];e in b||(b[e]={});b=b[e]}a=a[a.length-1];d=b[a];c=c(d);c!=d&&null!=c&&$jscomp.defineProperty(b,a,{configurable:!0,writable:!0,value:c})}};$jscomp.polyfill("Array.prototype.keys",function(a){return a?a:function(){return $jscomp.iteratorFromArray(this,function(a){return a})}},"es6","es3");var VERSION="1.0.0";console.log("Webina Library "+VERSION);console.log(" Compiled from Vina 1.1.2 codebase:");
console.log(" http://vina.scripps.edu/");
var WEBINA_Module,decodeBase64="function"==typeof atob?atob:function(a){var c,b,d,e,f,m,g="",h=0;for(a=a.replace(/[^A-Za-z0-9\+\/=]/g,"");c="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))<<2|(e="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>4,b=(15&e)<<4|(f="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>2,d=(3&f)<<6|(m="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))),g+=
String.fromCharCode(c),64!==f&&(g+=String.fromCharCode(b)),64!==m&&(g+=String.fromCharCode(d)),h<a.length;)return g},Webina=function(){return{WEBINA_ENVIRONMENT_IS_NODE:window.WEBINA_ENVIRONMENT_IS_NODE,WEBINA_lengthBytesUTF8:window.WEBINA_lengthBytesUTF8,WEBINA_stringToUTF8Array:window.WEBINA_stringToUTF8Array,WEBINA_assert:window.WEBINA_assert,WEBINA_ASSERTIONS:1,WEBINA_DATA_URI_PREFIX:"data:application/octet-stream;base64,",WEBINA_BASE_URL:"./",FS:window.FS,start:function(a,c,b,d,e,f){var m=this,
g="\nWEBINA\n======\n\n";void 0!==f?("/"!==f.slice(f.length-1)&&(f+="/"),this.WEBINA_BASE_URL=f,g+="User specified baseUrl: "+f+"\n"):g+="No baseUrl specified, so using ./\n\nUse Webina.start() to specify the baseUrl:\n function start(vinaParams, receptorPDBQTTxt, \n ligandPDBQTTxt, onDone, \n onError, baseUrl)\n";g+="\nExpecting files at the following locations:\n";for(var h=0;5>h;h++)g+=" "+(void 0===f?"./":f)+["Webina.min.min.js","vina.html.mem","vina.min.min.js",
"vina.worker.min.min.js","vina.wasm"][h]+"\n";g+="\n";void 0!==f?console.log(g):console.warn(g);void 0===e&&(e=function(){console.log("Webina encountered an error! Does your browser support WebAssembly?")});WEBINA_Module={preRun:[],postRun:[],stdOut:"",stdErr:"",print:function(){return function(a){1<arguments.length&&(a=Array.prototype.slice.call(arguments).join(" "));window.WEBINA_Module.stdOut+=a+"\n"}}(),printErr:function(a){1<arguments.length&&(a=Array.prototype.slice.call(arguments).join(" "));window.WEBINA_Module.stdErr+=
a+"\n"},setStatus:function(a){""===a&&void 0!==d&&(a=(new TextDecoder("utf-8")).decode(window.FS.readFile("ligand_out.pdbqt")),d(a,window.WEBINA_Module.stdOut,window.WEBINA_Module.stdErr))},onError:e,catchError:function(a){e(a)},receptorPDBQTTxt:c,ligandPDBQTTxt:b};void 0!==a.receptor&&console.warn("Webina does not support Vina's --receptor parameter. Instead, pass the content of the receptor file as a string to the webina.start() function.");void 0!==a.receptor&&console.warn("Webina does not support Vina's --ligand parameter. Instead, pass the content of the ligand file as a string to the webina.start() function.");
WEBINA_Module.arguments=["--receptor","/receptor.pdbqt","--ligand","/ligand.pdbqt"];c=Object.keys(a);b=c.length;for(h=0;h<b;h++)f=c[h],g=a[f],WEBINA_Module.arguments.push("--"+f),"boolean"!==typeof g&&WEBINA_Module.arguments.push(String(g));window.WEBINA_Module=WEBINA_Module;var k=this.WEBINA_BASE_URL+"vina.html.mem";k=WEBINA_Module.locateFile?WEBINA_Module.locateFile(k,""):k;WEBINA_Module.memoryInitializerRequestURL=k;var l=WEBINA_Module.memoryInitializerRequest=new XMLHttpRequest;l.onloadend=function(){if(404===
......
This source diff could not be displayed because it is too large. You can view the blob instead.
......@@ -5,7 +5,7 @@
<meta charset="utf-8">
<meta content="text/html; charset=utf-8" http-equiv="Content-Type">
<title>Webina</title>
<link rel="shortcut icon" href="favicon.ico"><link href="vendors.13c7e9f06bde2c8bfdb6.1.css" rel="stylesheet"><link href="styles.13c7e9f06bde2c8bfdb6.3.css" rel="stylesheet"></head>
<link rel="shortcut icon" href="favicon.ico"><link href="vendors.ba6bc77155b7ef7dbaec.1.css" rel="stylesheet"><link href="styles.ba6bc77155b7ef7dbaec.3.css" rel="stylesheet"></head>
<body>
<div id="app"></div>
......@@ -19,6 +19,6 @@
<script src="vue.min.js"></script>
<script src="vuex.min.js"></script>
<script src="bootstrap-vue.min.js"></script>
<script type="text/javascript" src="runtime.13c7e9f06bde2c8bfdb6.js"></script><script type="text/javascript" src="vendors.13c7e9f06bde2c8bfdb6.js"></script><script type="text/javascript" src="app.13c7e9f06bde2c8bfdb6.js"></script><script type="text/javascript" src="styles.13c7e9f06bde2c8bfdb6.js"></script><script type="text/javascript" src="styles.css.13c7e9f06bde2c8bfdb6.js"></script></body>
<script type="text/javascript" src="runtime.ba6bc77155b7ef7dbaec.js"></script><script type="text/javascript" src="vendors.ba6bc77155b7ef7dbaec.js"></script><script type="text/javascript" src="app.ba6bc77155b7ef7dbaec.js"></script><script type="text/javascript" src="styles.ba6bc77155b7ef7dbaec.js"></script><script type="text/javascript" src="styles.css.ba6bc77155b7ef7dbaec.js"></script></body>
</html>
......@@ -106,7 +106,7 @@ export function setup(): void {
label="Exhaustiveness" id="exhaustiveness"
description="Exhaustiveness of the global search (roughly proportional to time). Webina defaults to 4 to speed execution in the browser, but the Vina default is 8. Use 8 when accuracy is critical."
placeholder="8"
:default="4"
:default="8"
:min="1"
></numeric-input>
</sub-section>
......
......@@ -19,7 +19,9 @@
// There are a few variables and functions from vina.js that I want to easily
// access from here.
var VERSION = "1.0.0"; // Replaced by compile script.
console.log("Webina JavaScript Library " + VERSION);
console.log("Webina Library " + VERSION);
console.log(" Compiled from Vina 1.1.2 codebase:");
console.log(" http://vina.scripps.edu/");
var WEBINA_Module;
// A shiv for decodeBase64.
var decodeBase64 = "function" == typeof atob ? atob : function (r) {
......
......@@ -19,10 +19,11 @@ $jscomp.SymbolClass=function(a,c){this.$jscomp$symbol$id_=a;$jscomp.defineProper
$jscomp.initSymbolIterator=function(){$jscomp.initSymbol();var a=$jscomp.global.Symbol.iterator;a||(a=$jscomp.global.Symbol.iterator=$jscomp.global.Symbol("Symbol.iterator"));"function"!=typeof Array.prototype[a]&&$jscomp.defineProperty(Array.prototype,a,{configurable:!0,writable:!0,value:function(){return $jscomp.iteratorPrototype($jscomp.arrayIteratorImpl(this))}});$jscomp.initSymbolIterator=function(){}};
$jscomp.initSymbolAsyncIterator=function(){$jscomp.initSymbol();var a=$jscomp.global.Symbol.asyncIterator;a||(a=$jscomp.global.Symbol.asyncIterator=$jscomp.global.Symbol("Symbol.asyncIterator"));$jscomp.initSymbolAsyncIterator=function(){}};$jscomp.iteratorPrototype=function(a){$jscomp.initSymbolIterator();a={next:a};a[$jscomp.global.Symbol.iterator]=function(){return this};return a};
$jscomp.iteratorFromArray=function(a,c){$jscomp.initSymbolIterator();a instanceof String&&(a+="");var b=0,d={next:function(){if(b<a.length){var e=b++;return{value:c(e,a[e]),done:!1}}d.next=function(){return{done:!0,value:void 0}};return d.next()}};d[Symbol.iterator]=function(){return d};return d};
$jscomp.polyfill=function(a,c,b,d){if(c){b=$jscomp.global;a=a.split(".");for(d=0;d<a.length-1;d++){var e=a[d];e in b||(b[e]={});b=b[e]}a=a[a.length-1];d=b[a];c=c(d);c!=d&&null!=c&&$jscomp.defineProperty(b,a,{configurable:!0,writable:!0,value:c})}};$jscomp.polyfill("Array.prototype.keys",function(a){return a?a:function(){return $jscomp.iteratorFromArray(this,function(a){return a})}},"es6","es3");var VERSION="1.0.0";console.log("Webina JavaScript Library "+VERSION);
var WEBINA_Module,decodeBase64="function"==typeof atob?atob:function(a){var c,b,d,e,f,m,g="",h=0;for(a=a.replace(/[^A-Za-z0-9\+\/=]/g,"");c="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))<<2|(e="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>4,b=(15&e)<<4|(f="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>2,d=(3&f)<<6|(m="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))),
g+=String.fromCharCode(c),64!==f&&(g+=String.fromCharCode(b)),64!==m&&(g+=String.fromCharCode(d)),h<a.length;)return g},Webina=function(){return{WEBINA_ENVIRONMENT_IS_NODE:window.WEBINA_ENVIRONMENT_IS_NODE,WEBINA_lengthBytesUTF8:window.WEBINA_lengthBytesUTF8,WEBINA_stringToUTF8Array:window.WEBINA_stringToUTF8Array,WEBINA_assert:window.WEBINA_assert,WEBINA_ASSERTIONS:1,WEBINA_DATA_URI_PREFIX:"data:application/octet-stream;base64,",WEBINA_BASE_URL:"./",FS:window.FS,start:function(a,c,b,d,e,f){var m=
this,g="\nWEBINA\n======\n\n";void 0!==f?("/"!==f.slice(f.length-1)&&(f+="/"),this.WEBINA_BASE_URL=f,g+="User specified baseUrl: "+f+"\n"):g+="No baseUrl specified, so using ./\n\nUse Webina.start() to specify the baseUrl:\n function start(vinaParams, receptorPDBQTTxt, \n ligandPDBQTTxt, onDone, \n onError, baseUrl)\n";g+="\nExpecting files at the following locations:\n";for(var h=0;5>h;h++)g+=" "+(void 0===f?"./":f)+["Webina.min.min.js","vina.html.mem","vina.min.min.js",
$jscomp.polyfill=function(a,c,b,d){if(c){b=$jscomp.global;a=a.split(".");for(d=0;d<a.length-1;d++){var e=a[d];e in b||(b[e]={});b=b[e]}a=a[a.length-1];d=b[a];c=c(d);c!=d&&null!=c&&$jscomp.defineProperty(b,a,{configurable:!0,writable:!0,value:c})}};$jscomp.polyfill("Array.prototype.keys",function(a){return a?a:function(){return $jscomp.iteratorFromArray(this,function(a){return a})}},"es6","es3");var VERSION="1.0.0";console.log("Webina Library "+VERSION);console.log(" Compiled from Vina 1.1.2 codebase:");
console.log(" http://vina.scripps.edu/");
var WEBINA_Module,decodeBase64="function"==typeof atob?atob:function(a){var c,b,d,e,f,m,g="",h=0;for(a=a.replace(/[^A-Za-z0-9\+\/=]/g,"");c="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))<<2|(e="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>4,b=(15&e)<<4|(f="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++)))>>2,d=(3&f)<<6|(m="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=".indexOf(a.charAt(h++))),g+=
String.fromCharCode(c),64!==f&&(g+=String.fromCharCode(b)),64!==m&&(g+=String.fromCharCode(d)),h<a.length;)return g},Webina=function(){return{WEBINA_ENVIRONMENT_IS_NODE:window.WEBINA_ENVIRONMENT_IS_NODE,WEBINA_lengthBytesUTF8:window.WEBINA_lengthBytesUTF8,WEBINA_stringToUTF8Array:window.WEBINA_stringToUTF8Array,WEBINA_assert:window.WEBINA_assert,WEBINA_ASSERTIONS:1,WEBINA_DATA_URI_PREFIX:"data:application/octet-stream;base64,",WEBINA_BASE_URL:"./",FS:window.FS,start:function(a,c,b,d,e,f){var m=this,
g="\nWEBINA\n======\n\n";void 0!==f?("/"!==f.slice(f.length-1)&&(f+="/"),this.WEBINA_BASE_URL=f,g+="User specified baseUrl: "+f+"\n"):g+="No baseUrl specified, so using ./\n\nUse Webina.start() to specify the baseUrl:\n function start(vinaParams, receptorPDBQTTxt, \n ligandPDBQTTxt, onDone, \n onError, baseUrl)\n";g+="\nExpecting files at the following locations:\n";for(var h=0;5>h;h++)g+=" "+(void 0===f?"./":f)+["Webina.min.min.js","vina.html.mem","vina.min.min.js",
"vina.worker.min.min.js","vina.wasm"][h]+"\n";g+="\n";void 0!==f?console.log(g):console.warn(g);void 0===e&&(e=function(){console.log("Webina encountered an error! Does your browser support WebAssembly?")});WEBINA_Module={preRun:[],postRun:[],stdOut:"",stdErr:"",print:function(){return function(a){1<arguments.length&&(a=Array.prototype.slice.call(arguments).join(" "));window.WEBINA_Module.stdOut+=a+"\n"}}(),printErr:function(a){1<arguments.length&&(a=Array.prototype.slice.call(arguments).join(" "));window.WEBINA_Module.stdErr+=
a+"\n"},setStatus:function(a){""===a&&void 0!==d&&(a=(new TextDecoder("utf-8")).decode(window.FS.readFile("ligand_out.pdbqt")),d(a,window.WEBINA_Module.stdOut,window.WEBINA_Module.stdErr))},onError:e,catchError:function(a){e(a)},receptorPDBQTTxt:c,ligandPDBQTTxt:b};void 0!==a.receptor&&console.warn("Webina does not support Vina's --receptor parameter. Instead, pass the content of the receptor file as a string to the webina.start() function.");void 0!==a.receptor&&console.warn("Webina does not support Vina's --ligand parameter. Instead, pass the content of the ligand file as a string to the webina.start() function.");
WEBINA_Module.arguments=["--receptor","/receptor.pdbqt","--ligand","/ligand.pdbqt"];c=Object.keys(a);b=c.length;for(h=0;h<b;h++)f=c[h],g=a[f],WEBINA_Module.arguments.push("--"+f),"boolean"!==typeof g&&WEBINA_Module.arguments.push(String(g));window.WEBINA_Module=WEBINA_Module;var k=this.WEBINA_BASE_URL+"vina.html.mem";k=WEBINA_Module.locateFile?WEBINA_Module.locateFile(k,""):k;WEBINA_Module.memoryInitializerRequestURL=k;var l=WEBINA_Module.memoryInitializerRequest=new XMLHttpRequest;l.onloadend=function(){if(404===
......
......@@ -7,7 +7,9 @@
// access from here.
let VERSION = "XXXXXXXXXXXXX.X" // Replaced by compile script.
console.log("Webina JavaScript Library " + VERSION);
console.log("Webina Library " + VERSION);
console.log(" Compiled from Vina 1.1.2 codebase:");
console.log(" http://vina.scripps.edu/")
var WEBINA_Module: any
......
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