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sdf-parser

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sdf-parser - npm Package Compare versions

Comparing version 2.2.0 to 2.3.1

yarn.lock

2

bower.json
{
"name": "sdf-parser",
"version": "2.2.0",
"version": "2.3.1",
"main": [

@@ -5,0 +5,0 @@ "dist/sdf-parser.js",

{
"name": "sdf-parser",
"version": "2.2.0",
"version": "2.3.1",
"description": "SDF parser",

@@ -5,0 +5,0 @@ "main": "./src/index.js",

@@ -10,3 +10,3 @@ # sdf-parser

## Use of the pacakge
## Use of the package

@@ -39,2 +39,3 @@ ```bash

* filter : function that allows to filter the result
* mixedEOL : if set to true will try to deal with mixed End Of Line separator

@@ -41,0 +42,0 @@ ## Advanced example with filtering and modifiers

@@ -13,12 +13,18 @@ 'use strict';

}
// we will find the delimiter in order to be much faster and not use regular expression
var header = sdf.substr(0, 1000);
var crlf = '\n';
if (header.indexOf('\r\n') > -1) {
crlf = '\r\n';
} else if (header.indexOf('\r') > -1) {
crlf = '\r';
var eol = '\n';
if (options.mixedEOL) {
sdf=sdf.replace(/\r\n/g, "\n");
sdf=sdf.replace(/\r/g, "\n");
} else {
// we will find the delimiter in order to be much faster and not use regular expression
var header = sdf.substr(0, 1000);
if (header.indexOf('\r\n') > -1) {
eol = '\r\n';
} else if (header.indexOf('\r') > -1) {
eol = '\r';
}
}
var sdfParts = sdf.split(crlf + '$$$$' + crlf);
var sdfParts = sdf.split(new RegExp(eol+'\\$\\$\\$\\$.*'+eol));
var molecules = [];

@@ -31,9 +37,9 @@ var labels = {};

var sdfPart = sdfParts[i];
var parts = sdfPart.split(crlf + '>');
var parts = sdfPart.split(eol + '>');
if (parts.length > 0 && parts[0].length > 5) {
var molecule = {};
var currentLabels=[];
molecule.molfile = parts[0] + crlf;
molecule.molfile = parts[0] + eol;
for (var j = 1; j < parts.length; j++) {
var lines = parts[j].split(crlf);
var lines = parts[j].split(eol);
var from = lines[0].indexOf('<');

@@ -59,3 +65,3 @@ var to = lines[0].indexOf('>');

if (molecule[label]) {
molecule[label] += crlf + lines[k];
molecule[label] += eol + lines[k];
} else {

@@ -66,3 +72,8 @@ molecule[label] = lines[k];

if (labels[label].modifier) {
molecule[label]=labels[label].modifier(molecule[label]);
var modifiedValue=labels[label].modifier(molecule[label]);
if (modifiedValue===undefined || modifiedValue===null) {
delete molecule[label];
} else {
molecule[label]=modifiedValue;
}
}

@@ -69,0 +80,0 @@ if (labels[label].isNumeric) {

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