'use strict';
var OCLE = require('../..');

describe.only('getCouplings test propane', function () {
    it('should yield the right table without atom filtering', function () {
        var molecule = OCLE.Molecule.fromSmiles('CCC');
        molecule.addImplicitHydrogens();
        var couplings = molecule.getCouplings();
        console.log(couplings);
    });
});
@@ -37,16 +37,954 @@
 /..');%0A%0A
+var molfile=%60CCC%0AJME 2017-03-21 Wed Jun 14 14:53:08 GMT+200 2017%0A%0A 11 10  0  0  0  0  0  0  0  0999 V2000%0A   -0.1232    0.7436   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0%0A    1.0515    0.3612    0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0%0A    2.3644    0.3884   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0%0A    3.1833    0.1175    0.3527 H   0  0  0  0  0  0%0A    2.3078   -0.3162   -1.1167 H   0  0  0  0  0  0%0A    2.5303    1.3822   -0.6904 H   0  0  0  0  0  0%0A    1.1135    1.0640    1.3137 H   0  0  0  0  0  0%0A    0.8912   -0.6329    0.8877 H   0  0  0  0  0  0%0A   -1.0412    0.7208    0.1550 H   0  0  0  0  0  0%0A    0.0315    1.7390   -0.8073 H   0  0  0  0  0  0%0A   -0.1910    0.0406   -1.2336 H   0  0  0  0  0  0%0A  1  2  1  0  0  0  0%0A  2  3  1  0  0  0  0%0A  3  4  1  0  0  0%0A  3  5  1  0  0  0%0A  3  6  1  0  0  0%0A  2  7  1  0  0  0%0A  2  8  1  0  0  0%0A  1  9  1  0  0  0%0A  1 10  1  0  0  0%0A  1 11  1  0  0  0%0AM  END%60;%0A%0A
 describe
@@ -1130,16 +1130,122 @@
 lecule =
+ OCLE.Molecule.fromMolfile(molfile);%0A        console.log(molecule.getAllAtoms());%0A     //   var molecule =
  OCLE.Mo
@@ -1266,16 +1266,17 @@
 les('CCC
+C
 ');%0A    
@@ -1278,16 +1278,18 @@
 %0A       
+//
  molecul
@@ -1395,16 +1395,63 @@
 lings);%0A
+        couplings.map(a =%3E console.log(a.xyz))%0A
     %7D);%0A

Add 3d test case