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handle dump files with extra UNITS or TIME info

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This commit is contained in:
Axel Kohlmeyer
2022-08-21 14:01:41 -04:00
parent 1f37087156
commit f18b96e517
2 changed files with 18 additions and 4 deletions
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18
tools/python/pizza/dump.py
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@ -357,7 +357,21 @@ class dump:
def read_snapshot(self,f):
try:
snap = Snap()
item = f.readline()
snap.units = 'unknown'
snap.stime = -1.0
# read until hitting next "TIMESTEP" item
while True:
try:
item = f.readline().split()
if item[0] == 'ITEM:' and item[1] == 'UNITS':
snap.units = f.readline().split()[0]
if item[0] == 'ITEM:' and item[1] == 'TIME':
snap.time = f.readline().split()[0]
if item[0] == 'ITEM:' and item[1] == 'TIMESTEP':
break
except:
return
snap.time = int(f.readline().split()[0]) # just grab 1st field
item = f.readline()
snap.natoms = int(f.readline())
@ -391,7 +405,7 @@ class dump:
for i in range(1,snap.natoms):
words += f.readline().split()
floats = map(float,words)
atom_data = np.array(list(floats),np.float)
atom_data = np.array(list(floats),float)
snap.atoms = atom_data.reshape((snap.natoms, ncol))
else: