def __init__(self,
pg_low,
pg_high,
enforce_point_group=True,
as_xyz=False):
# It is rather import (i think) to make sure
# that point groups are supplied. This might prevent later surprises.
# hopefully.
self.as_xyz = as_xyz
low_point_group_check = (pg_low == pg_low.build_derived_point_group())
if enforce_point_group:
if not low_point_group_check:
raise Sorry("Input spacegroup not a point group")
high_point_group_check = (
pg_high == pg_high.build_derived_point_group())
if enforce_point_group:
if not high_point_group_check:
raise Sorry("Input spacegroup not a point group")
self.assert_pg = enforce_point_group
self.graph = graph_tools.graph()
self.pg_low = pg_low
self.pg_high = pg_high
self.queue = [] # the queue used in building the space_group
self.build_it()
del self.queue # you have no business looking at this object,
# so I delete it .. ;-)
self.graph.assert_is_clean()
def __init__(self,
pg_low,
pg_high,
enforce_point_group=True,
as_xyz = False):
# It is rather import (i think) to make sure
# that point groups are supplied. This might prevent later surprises.
# hopefully.
self.as_xyz = as_xyz
low_point_group_check = (pg_low == pg_low.build_derived_point_group())
if enforce_point_group:
if not low_point_group_check:
raise Sorry("Input spacegroup not a point group")
high_point_group_check = (pg_high == pg_high.build_derived_point_group())
if enforce_point_group:
if not high_point_group_check:
raise Sorry("Input spacegroup not a point group")
self.assert_pg = enforce_point_group
self.graph = graph_tools.graph()
self.pg_low = pg_low
self.pg_high = pg_high
self.queue = [] # the queue used in building the space_group
self.build_it()
del self.queue # you have no business looking at this object,
# so I delete it .. ;-)
self.graph.assert_is_clean()
def tst_graph():
ll = gt.graph()
ll.insert_node( name = 'a',
node_object = 'ploep_a',
edge_object = { 'b': 'a_to_b', 'c': 'a_to_c' } )
ll.insert_node( name = 'b',
node_object = 'ploep_b',
edge_object = { 'c': 'b_to_c' } )
ll.insert_node( name = 'c',
node_object = 'ploep_c',
edge_object = { } )
path_found = ll.find_all_paths('a', 'c')
path_possible = [['a', 'c'], ['a', 'b', 'c']]
for path in path_possible:
assert (path in path_found)
shortest = ll.find_shortest_path('a', 'c')
assert (shortest == ['a','c'])
assert ( (ll.o == { 'a':['b','c'], 'b':['c'],'c':[] }) or
(ll.o == { 'a':['c','b'], 'b':['c'],'c':[] }) )
kk = gt.graph()
kk.insert_node( name = 'a',
node_object = 'ploep_a',
edge_object = { 'b': 'a_to_b', 'c': 'a_to_c' } )
kk.insert_node( name = 'b',
node_object = 'ploep_b',
edge_object = { 'c': 'b_to_c' } )
kk.insert_node( name = 'c',
node_object = 'ploep_c',
edge_object = { } )
assert ll.is_equivalent_to( kk )
kk.insert_node( name = 'b',
node_object=None,
edge_object={ 'a': 'b_to_a'} )
assert ll.is_contained_in( kk )
assert not kk.is_contained_in( ll )
ll.assert_is_clean()
kk.assert_is_clean()
kk.remove_node( 'b' )
kk.assert_is_clean()
kk.insert_node( name = 'a',
node_object = 'ploep_a',
edge_object = { 'b': 'a_to_b', 'c': 'a_to_c' } )
kk.insert_node( name = 'b',
node_object = 'ploep_b',
edge_object = { 'c': 'b_to_c' } )
kk.insert_node( name = 'd',
node_object = 'ploep_a',
edge_object = { 'b': 'd_to_b', 'c': 'd_to_c' } )
kk.insert_node( name = 'e',
node_object = 'ploep_b',
edge_object = { 'd': 'e_to_d' } )
kk.insert_node( name = 'c',
node_object = 'ploep_b',
edge_object = { 'd': 'c_to_d' } )
a_paths = [['a', 'c', 'd'], ['a', 'b', 'c']]
c_paths = [['c', 'd', 'b']]
b_paths = [['b', 'c', 'd']]
e_paths = [['e', 'd', 'c'], ['e', 'd', 'b']]
d_paths = [['d', 'b', 'c']]
for ps, solution in [('a', a_paths), ('b', b_paths), ('c', c_paths),
('d', d_paths), ('e', e_paths)]:
for p in kk.find_paths_of_length(ps, 3):
assert p in solution
def tst_graph():
ll = gt.graph()
ll.insert_node( name = 'a',
node_object = 'ploep_a',
edge_object = { 'b': 'a_to_b', 'c': 'a_to_c' } )
ll.insert_node( name = 'b',
node_object = 'ploep_b',
edge_object = { 'c': 'b_to_c' } )
ll.insert_node( name = 'c',
node_object = 'ploep_c',
edge_object = { } )
path_found = ll.find_all_paths('a', 'c')
path_possible = [['a', 'c'], ['a', 'b', 'c']]
for path in path_possible:
assert (path in path_found)
shortest = ll.find_shortest_path('a', 'c')
assert (shortest == ['a','c'])
assert ( (ll.o == { 'a':['b','c'], 'b':['c'],'c':[] }) or
(ll.o == { 'a':['c','b'], 'b':['c'],'c':[] }) )
kk = gt.graph()
kk.insert_node( name = 'a',
node_object = 'ploep_a',
edge_object = { 'b': 'a_to_b', 'c': 'a_to_c' } )
kk.insert_node( name = 'b',
node_object = 'ploep_b',
edge_object = { 'c': 'b_to_c' } )
kk.insert_node( name = 'c',
node_object = 'ploep_c',
edge_object = { } )
assert ll.is_equivalent_to( kk )
kk.insert_node( name = 'b',
node_object=None,
edge_object={ 'a': 'b_to_a'} )
assert ll.is_contained_in( kk )
assert not kk.is_contained_in( ll )
ll.assert_is_clean()
kk.assert_is_clean()
kk.remove_node( 'b' )
kk.assert_is_clean()
kk.insert_node( name = 'a',
node_object = 'ploep_a',
edge_object = { 'b': 'a_to_b', 'c': 'a_to_c' } )
kk.insert_node( name = 'b',
node_object = 'ploep_b',
edge_object = { 'c': 'b_to_c' } )
kk.insert_node( name = 'd',
node_object = 'ploep_a',
edge_object = { 'b': 'd_to_b', 'c': 'd_to_c' } )
kk.insert_node( name = 'e',
node_object = 'ploep_b',
edge_object = { 'd': 'e_to_d' } )
kk.insert_node( name = 'c',
node_object = 'ploep_b',
edge_object = { 'd': 'c_to_d' } )
a_paths = [['a', 'c', 'd'], ['a', 'b', 'c']]
c_paths = [['c', 'd', 'b']]
b_paths = [['b', 'c', 'd']]
e_paths = [['e', 'd', 'c'], ['e', 'd', 'b']]
d_paths = [['d', 'b', 'c']]
assert kk.find_paths_of_length( 'a' , 3 ) == a_paths
assert kk.find_paths_of_length( 'b' , 3 ) == b_paths
assert kk.find_paths_of_length( 'c' , 3 ) == c_paths
assert kk.find_paths_of_length( 'd' , 3 ) == d_paths
assert kk.find_paths_of_length( 'e' , 3 ) == e_paths
