Example #1
0
def test_concatenate_relations():
    a1 = InstanceRelation("bonds", map="atom", index=range(3), shape=(2,), dim="bond")
    newattr = concatenate_relations([a1, a1, a1])
    eq_(newattr.size, 0)

    a2 = a1.empty(2, inplace=False)
    a3 = a2.copy()

    newattr = concatenate_relations([a1, a2, a3])
    eq_(newattr.size, 4)
    assert_npequal(newattr.value, [[3, 3], [3, 3], [6, 6], [6, 6]])
Example #2
0
def test_concatenate_relations():
    a1 = InstanceRelation('bonds', map='atom', index=range(3), shape=(2,), dim='bond')
    newattr = concatenate_relations([a1, a1, a1])
    eq_(newattr.size, 0)
    
    a2 = a1.empty(2, inplace=False)
    a3 = a2.copy()
    
    newattr = concatenate_relations([a1, a2, a3])
    eq_(newattr.size, 4)
    assert_npequal(newattr.value, [[3, 3], [3, 3], 
                                   [6, 6], [6, 6]])
Example #3
0
def test_instance_relation():
    irel = InstanceRelation('bonds', map='atoms', index=range(3), dim='bonds', shape=(2,))
    eq_(irel.size, 0)
    assert_npequal(irel.index, [0, 1, 2])
    
    # initialize as empty
    irel.empty(2)
    assert_npequal(irel.value, [[0, 0], [0, 0]])
    
    # reorder
    irel.value = [[0, 1], [0, 2]]
    irel.reorder([1, 0])
    assert_npequal(irel.value, [[0, 2], [0, 1]])
    
    # remap
    irel2 = irel.remap([0, 1, 2], [2, 0, 1], inplace=False)
    assert_npequal(irel2.value, [[2, 1], [2, 0]])
    
    irel.remap([0, 1, 2], [2, 0, 1])
    assert_npequal(irel.value, [[2, 1], [2, 0]])