def test_populated_attrs():
class Dummy(object):
def __init__(self, **kwds):
self.attr_lst = ['a','b','c', 'd']
for name in self.attr_lst:
setattr(self, name, None)
for k,v in kwds.iteritems():
setattr(self, k, v)
x = Dummy(a=1,b=2,c=3,d=8)
y = Dummy(a=4)
z = Dummy(d=7)
assert crys.populated_attrs([x,y]) == set(['a'])
assert crys.populated_attrs([x,y,z]) == set([])
def test_populated_attrs():
class Dummy(object):
def __init__(self, **kwds):
self.attr_lst = ['a', 'b', 'c', 'd']
for name in self.attr_lst:
setattr(self, name, None)
for k, v in kwds.items():
setattr(self, k, v)
x = Dummy(a=1, b=2, c=3, d=8)
y = Dummy(a=4)
z = Dummy(d=7)
assert crys.populated_attrs([x, y]) == set(['a'])
assert crys.populated_attrs([x, y, z]) == set([])
{st}
only in Trajectory:
{onlytr}
only in Structure:
{onlyst}
Attributes which are None w.r.t. the Trajectory API after the following
operation, starting with a fully populated struct or traj (all attrs not None):
""".format(st=st.attr_lst, tr=tr.attr_lst, onlytr=list(onlytr),
onlyst=list(onlyst))
items = [\
('tr', tr),
('tr.copy', tr.copy()),
('tr[0:5]', tr[0:5]),
('st', st),
('st.copy', st.copy()),
('tr[0]', tr[0]),
('mean(tr)', crys.mean(tr)),
('concatenate([st,st])', crys.concatenate([st,st])),
('concatenate([st,tr])', crys.concatenate([st,tr])),
('concatenate([tr,tr])', crys.concatenate([tr,tr])),
]
for name,obj in items:
none_attrs = set.difference(set(tr.attr_lst),
crys.populated_attrs([obj]))
typ = 'traj' if obj.is_traj else 'struct'
print "{:25} {:7} {}".format(name, typ, list(none_attrs))
{st}
only in Trajectory:
{onlytr}
only in Structure:
{onlyst}
Attributes which are None w.r.t. the Trajectory API after the following
operation, starting with a fully populated struct or traj (all attrs not None):
""".format(st=st.attr_lst, tr=tr.attr_lst, onlytr=list(onlytr),
onlyst=list(onlyst)))
items = [\
('tr', tr),
('tr.copy', tr.copy()),
('tr[0:5]', tr[0:5]),
('st', st),
('st.copy', st.copy()),
('tr[0]', tr[0]),
('mean(tr)', crys.mean(tr)),
('concatenate([st,st])', crys.concatenate([st,st])),
('concatenate([st,tr])', crys.concatenate([st,tr])),
('concatenate([tr,tr])', crys.concatenate([tr,tr])),
]
for name,obj in items:
none_attrs = set.difference(set(tr.attr_lst),
crys.populated_attrs([obj]))
typ = 'traj' if obj.is_traj else 'struct'
print("{:25} {:7} {}".format(name, typ, list(none_attrs)))
