test/vasprunxml/test_vasprunxml.rb in vasputils-0.1.6 vs test/vasprunxml/test_vasprunxml.rb in vasputils-0.1.7

- old
+ new

@@ -62,12 +62,14 @@ assert_equal([1], @v01.nums_elements) end def test_elements assert_equal(['Li'], @v01.elements) + assert_equal( ["Ag", "Ag", "I", "I"], @v00.elements) end + def test_fermi_energy assert_equal( 3.78039662, @v00.fermi_energy) assert_equal(-3.28068319, @v01.fermi_energy) assert_equal(6.07577117, @v02.fermi_energy) end @@ -166,13 +168,9 @@ [ -1.81434021, 10.68263862, -0.18256841], [ -0.18061392, -2.30429722, 15.63276550], ], results[99] ) - end - - def test_elements - assert_equal( ["Ag", "Ag", "I", "I"], @v00.elements) end def test_calculation_cells v = VaspUtils::VasprunXml.load_file('test/vasprunxml/P-1.xml') results = v.calculation_cells