test/test_vaspdir.rb in vasputils-0.0.3 vs test/test_vaspdir.rb in vasputils-0.0.4

@@ -14,11 +14,32 @@
 # assert_in_delta( cor, data, $tolerance )
 # assert_raise( RuntimeError ){}
 
 class VaspDir < Comana
   attr_reader :mode
-  public :finished?
+
+  def calculate
+    generated_files = [
+      "CHG",
+      "CHGCAR",
+      "CONTCAR",
+      "DOSCAR",
+      "EIGENVAL",
+      "IBZKPT",
+      "OSZICAR",
+      "OUTCAR",
+      "PCDAT",
+      "WAVECAR",
+      "XDATCAR",
+      "machines",
+      "vasprun.xml",
+    ]
+    generated_files.map!{|i| "#{@dir}/#{i}"}
+    command = "touch #{generated_files.join(" ")}"
+
+    system command
+  end
 end
 
 
 class TC_VaspDir < Test::Unit::TestCase
 
@@ -65,11 +86,11 @@
     assert_equal(false, @vd02.finished?)
     assert_equal(true , @vd03.finished?)
   end
 
   def test_calculate
-    lock_dir = "test/vaspdir/not-yet/lock"
+    lock_dir = "test/vaspdir/not-yet/comana_lock"
     Dir.rmdir(lock_dir) if Dir.exist?(lock_dir)
     #pp @vd00;exit
     #@vd00.calculate
     assert_nothing_raised{@vd00.calculate}
 
@@ -79,11 +100,11 @@
     assert(FileTest.exist? "test/vaspdir/not-yet/INCAR")
     assert(FileTest.exist? "test/vaspdir/not-yet/KPOINTS")
     assert(FileTest.exist? "test/vaspdir/not-yet/POSCAR")
     assert(FileTest.exist? "test/vaspdir/not-yet/POTCAR")
 
-    lock_dir = "test/vaspdir/not-yet/lock"
+    lock_dir = "test/vaspdir/not-yet/comana_lock"
     Dir.rmdir(lock_dir) if Dir.exist?(lock_dir)
   end
 
   def test_outcar
     assert_equal("test/vaspdir/started/OUTCAR", @vd02.outcar[:name])
@@ -112,12 +133,9 @@
 
   def teardown
     GENERATED_FILES_VD00.each do |file|
       FileUtils.rm file if File.exist? file
     end
-
-    #lock_dir = "test/vaspdir/not-yet/lock"
-    #Dir.rmdir(lock_dir) if Dir.exist?(lock_dir)
   end
 
 end