spec/rubabel/atom_spec.rb in rubabel-0.2.0 vs spec/rubabel/atom_spec.rb in rubabel-0.2.1

@@ -3,11 +3,11 @@
 require 'rubabel/molecule'
 require 'rubabel/atom'
 
 describe Rubabel::Atom do
 
-  it 'can be created given an element symbol' do
+  xit 'can be created given an element symbol' do
     hydrogen = Rubabel::Atom[:h]
     hydrogen.el.should == :h
 
     carbon = Rubabel::Atom[:c]
     carbon.el.should == :c
@@ -15,10 +15,23 @@
     chlorine = Rubabel::Atom[:cl, 3]
     chlorine.el.should == :cl
     chlorine.id.should == 3
   end
 
+  describe 'attaching another atom to itself (as part of a molecule)' do
+
+    it 'attaches preformed atom' do
+    end
+
+    it 'attaches given an atomic number' do
+    end
+
+    it 'attaches given an element symbol' do
+    end
+
+  end
+
   specify 'equality' do
     mol = Rubabel["CCO"]
     oxygen = mol.atoms[2]
     oxygen_from_match = mol.matches("CO").first.last
     (oxygen == oxygen_from_match).should be_true
@@ -74,27 +87,32 @@
       it "has #{methd}" do
         @atom.send(methd).should == exp
       end
     end
 
+    specify '#<<(atom) adds an atom and returns the added atom' do
+      mol = Rubabel["C"]
+      reply = (mol[0] << :n << :o)
+      reply.should be_a(Rubabel::Atom)
+      mol.csmiles.should == 'CNO'
+    end
 
     it '#mol retrieves the parent molecule' do
       @atom.mol.should == @mol
 
-      # no parent molecule 
-      h = Rubabel::Atom[:h]
-      h.mol.should be_nil
+      ## no parent molecule 
+      #h = Rubabel::Atom[:h]
+      #h.mol.should be_nil
     end
 
     it 'can get the bonds' do
       @atom.each_bond do |bond|
         bond.should be_a(Rubabel::Bond)
       end
       @atom.bonds.size.should == 4
     end
 
-    it 'can add a bond' do
-    end
+    it 'can add a bond'
 
     it 'can get the neighboring atoms' do
       @atom.id.should == 0
       @atom.atomic_num.should == 6
       @atom.type.should == 'C3'