def diff(S1, S2):
#if type(S1) != numpy.ndarray:
# S1 = S1.lattsite
#if type(S2) != numpy.ndarray:
# S2 = S2.lattsite
if False:
diffs = (S1.lattsite != S2.lattsite)
if not numpy.any(diffs):
print "no differences"
return
diffIndexes = numpy.where(diffs)
#print diffIndexes[0]
for i, index in enumerate(diffIndexes[0]):
#print index, S1[index], S2[index]
print "(at %4d) %4d -> %4d "%(index, S1.lattsite[index],
S2.lattsite[index]),
if i%3 == 2: print
print
# diff by atom numbers
if True:
diffs = (S1.atompos != S2.atompos)
if not numpy.any(diffs):
print "no differences"
return
diffIs = numpy.where(diffs) # get indexes of moved atoms
for i, index in enumerate(diffIs[0]):
print "(#%5d)%5d ->%5d "%(index, S1.atompos[index],
S2.atompos[index]),
if i%3 == 2: print
print
from rkddp.interact import interact ; interact()
def excepthook(t, value, tb):
# Print the normal traceback.
sys.__excepthook__(t, value, tb)
while tb.tb_next is not None:
tb = tb.tb_next
#c_d = traceback.extract_tb(tb)
#from fitz import interactnow
interact.interact(frame=tb.tb_frame)
def run():
stack = []
for cmd in sys.argv[1:]:
cmd = pcd.util.leval(cmd)
if cmd == 'open_cmty':
cmtys = pcd.cmty.CommunityFile(stack[-1])
elif cmd == 'open_graph':
g = pcd.ioutil.read_any(stack[-1])
elif cmd == 'interact':
from fitz import interact
interact.interact()
else:
stack.append(cmd)
def run():
stack = []
for cmd in sys.argv[1:]:
cmd = pcd.util.leval(cmd)
if cmd == "open_cmty":
cmtys = pcd.cmty.CommunityFile(stack[-1])
elif cmd == "open_graph":
g = pcd.ioutil.read_any(stack[-1])
elif cmd == "interact":
from fitz import interact
interact.interact()
else:
stack.append(cmd)
def callback(SD):
S = SD.contents.S
from fitz.interact import interact ; interact()
return 0
def callback(struct_p):
S = struct_p.contents.S
from fitz.interact import interact ; interact()
return 0