Release v1.0.2

dist/screening.js

@@ -0,0 +1,293 @@
+(function webpackUniversalModuleDefinition(root, factory) {
+	if(typeof exports === 'object' && typeof module === 'object')
+		module.exports = factory();
+	else if(typeof define === 'function' && define.amd)
+		define([], factory);
+	else if(typeof exports === 'object')
+		exports["screening"] = factory();
+	else
+		root["screening"] = factory();
+})(this, function() {
+return /******/ (function(modules) { // webpackBootstrap
+/******/ 	// The module cache
+/******/ 	var installedModules = {};
+
+/******/ 	// The require function
+/******/ 	function __webpack_require__(moduleId) {
+
+/******/ 		// Check if module is in cache
+/******/ 		if(installedModules[moduleId])
+/******/ 			return installedModules[moduleId].exports;
+
+/******/ 		// Create a new module (and put it into the cache)
+/******/ 		var module = installedModules[moduleId] = {
+/******/ 			exports: {},
+/******/ 			id: moduleId,
+/******/ 			loaded: false
+/******/ 		};
+
+/******/ 		// Execute the module function
+/******/ 		modules[moduleId].call(module.exports, module, module.exports, __webpack_require__);
+
+/******/ 		// Flag the module as loaded
+/******/ 		module.loaded = true;
+
+/******/ 		// Return the exports of the module
+/******/ 		return module.exports;
+/******/ 	}
+
+
+/******/ 	// expose the modules object (__webpack_modules__)
+/******/ 	__webpack_require__.m = modules;
+
+/******/ 	// expose the module cache
+/******/ 	__webpack_require__.c = installedModules;
+
+/******/ 	// __webpack_public_path__
+/******/ 	__webpack_require__.p = "";
+
+/******/ 	// Load entry module and return exports
+/******/ 	return __webpack_require__(0);
+/******/ })
+/************************************************************************/
+/******/ ([
+/* 0 */
+/***/ function(module, exports, __webpack_require__) {
+
+	'use strict'
+
+
+	var Util=__webpack_require__(1);
+	var Plate=__webpack_require__(2);
+	var IconNMR=__webpack_require__(3);
+
+	module.exports = {
+	    Util,
+	    Plate,
+	    IconNMR
+	};
+
+
+/***/ },
+/* 1 */
+/***/ function(module, exports) {
+
+	'use strict'
+
+	/*
+	 Convert 'A5' to
+	 */
+	function positionToNumber(position, width) {
+	    if (width===undefined) throw Error('need to specify width for numberToPosition');
+	    position=position.toUpperCase().replace(/[^0-9A-Z]/g,'');
+	    var string=position.replace(/[0-9]+/,'');
+	    var number=position.replace(/[A-Z]+/,'');
+	    return (stringToNumber(string)-1)*width+(number*1);
+	}
+
+	function numberToPosition(number, width) {
+	    if (width===undefined) throw Error('need to specify width for numberToPosition');
+	    number--;
+	    return numberToString(Math.floor(number/width)+1)+(number%width+1);
+	}
+
+	function stringToNumber(string) {
+	    var number = 0;
+	    for (var i=0; i<string.length; i++) {
+	        number *= 26;
+	        number += string.charCodeAt(i)-64;
+	    }
+	    return number;
+	}
+
+	function numberToString(number) {
+	    var string='';
+	    while (number!=0) {
+	        string = String.fromCharCode((number-1)%26+65) + string;
+	        number = Math.floor((number-1)/26);
+	    }
+	    return string;
+	}
+
+	module.exports = {
+	    numberToString,
+	    stringToNumber,
+	    numberToPosition,
+	    positionToNumber
+	}
+
+/***/ },
+/* 2 */
+/***/ function(module, exports, __webpack_require__) {
+
+	'use strict';
+
+	var Util=__webpack_require__(1);
+
+	/*
+	index starts at 1 !
+
+	 */
+
+	class Plate {
+	    constructor(options) {
+	        options = options || {};
+
+	        this.width = options.width || 12;
+	        this.height = options.height || this.width / 3 * 2;
+	        this.size = this.width * this.height;
+	        this.initialize();
+	    }
+
+	    getWells() {
+	        return this.wells;
+	    }
+
+	    select(range) {
+	        if (range) {
+	            this.wells.forEach(function(well) {
+	                well.selected=false;
+	            });
+	            var reg = /(\d+)(-(\d+))?,?/g;
+	            var m;
+	            while(m = reg.exec(range)) {
+	                var from = +m[1];
+	                var to = +m[3];
+	                if(to && from <= to) {
+	                    for (var i=from; i<=to; i++) {
+	                        var well = this.wells[i-1];
+	                        if (! isEmpty(well.info)) well.selected=true;
+	                    }
+	                } else {
+	                    var well = this.wells[from-1];
+	                    if (! isEmpty(well.info)) well.selected=true;
+	                }
+	            }
+	        } else {
+	            this.wells.forEach(function(well) {
+	                if (isEmpty(well.info)) {
+	                    well.selected=false;
+	                } else {
+	                    well.selected=true;
+	                }
+	            });
+	        }
+	    }
+
+	    getArrayElement(index) {
+	        return this.wells[index];
+	    }
+
+	    updateColor(options) {
+	        this.wells.forEach(function(well) {
+	            if (isEmpty(well.info)) {
+	                well.color='white';
+	            } else if (well.selected) {
+	                well.info.color= 'rgba(144, 238, 144, 1)';
+	            } else {
+	                well.info.color='rgba(144, 238, 144, 0.3)';
+	            }
+	        })
+	    }
+
+
+	    getByPosition(position) {
+	        return this.wells[Util.positionToNumber(position, this.width)-1];
+	    }
+
+	    getByNumber(number) {
+	        return this.wells[number-1];
+	    }
+
+	    initialize() {
+	        this.wells=new Array(this.size);
+	        for (var row=0; row<this.height; row++) {
+	            for (var column=0; column<this.width; column++) {
+	                var i=row*this.width+column;
+	                this.wells[i]={
+	                    number: i+1,
+	                    position: Util.numberToPosition(i+1, this.width),
+	                    info: {}
+	                };
+	            }
+	        }
+	    }
+	}
+
+	function isEmpty(object) {
+	    var isEmpty = Object.keys(object).length === 0 && object.constructor === Object;
+	    return isEmpty;
+	}
+
+	module.exports=Plate;
+
+
+/***/ },
+/* 3 */
+/***/ function(module, exports, __webpack_require__) {
+
+	'use strict'
+
+	var Util=__webpack_require__(1);
+
+
+	/*
+	options:
+	- eol : end of line delimiter (Default: \r\n)
+	- plateNumber : the position of the plate (Default: 1)
+	- deleteExistingHolder : flag specifying if existing experiments should be deleted (Default: false)
+	- autosubmit : submit automatically (Default: false)
+	 */
+
+	function generateFile (requests, options) {
+	    var options = options || {};
+	    var EOL = options.eol || "\r\n";
+	    var plateNumber = options.plateNumber || 1;
+	    var textFile = [];
+
+	    for (var request of requests) {
+	        var holder=getHolder(request.position, plateNumber);
+	        var experimentNumber=getExperimentNumber(request.position);
+	        if (options.deleteExistingHolder) {
+	            textFile.push("USER "+request.user);
+	            textFile.push("HOLDER "+holder);
+	            textFile.push("DELETE"); // this is required to delete already existing entries
+	        }
+	        textFile.push("USER "+request.user);
+	        textFile.push("HOLDER "+holder);
+	        if (! options.autosubmit) textFile.push("NO_SUBMIT");
+	        textFile.push("NAME "+request.name);
+	        textFile.push("TITLE "+request.title);
+	        for (var experiment of request.experiments) {
+	            textFile.push("EXPNO "+experimentNumber++);
+	            textFile.push("SOLVENT "+experiment.solvent);
+	            textFile.push("EXPERIMENT "+experiment.experiment);
+	            if (experiment.parameters && experiment.parameters.length>0) {
+	                var parameters=[];
+	                for (var parameter of experiment.parameters) {
+	                    parameters.push(parameter.label, parameter.value);
+	                }
+	                textFile.push("PARAMETERS "+parameters.join(','));
+	            }
+	        }
+	        textFile.push("");
+	    }
+	    return textFile.join(EOL);
+	}
+
+	function getHolder(position, plateNumber) {
+	    return plateNumber*100+Util.positionToNumber(position, 12);
+	}
+
+	function getExperimentNumber(position) {
+	    return Util.positionToNumber(position, 12)*10;
+	}
+
+	module.exports={
+	    generateFile
+	}
+
+/***/ }
+/******/ ])
+});
+;

package.json

@@ -1,6 +1,6 @@
 {
   "name": "screening",
-  "version": "1.0.1",
+  "version": "1.0.2",
   "description": "Tools for numbering screening plate",
   "main": "./src/index.js",
   "directories": {