make included Pizza.py code for reading dumps compatible with python 2.7 (5508438b) · Commits · 郑智淋 / lammps

tools/python/pizza/dump.py

+4 −4

Original line number	Diff line number	Diff line
		@@ -472,7 +472,7 @@ class dump:
		yprdinv = 1.0 / (snap.yhi - snap.ylo)
		zprdinv = 1.0 / (snap.zhi - snap.zlo)
		atoms = snap.atoms
		if atoms != None:
		if type(atoms) != types.NoneType:
		atoms[:,x] = (atoms[:,x] - snap.xlo) * xprdinv
		atoms[:,y] = (atoms[:,y] - snap.ylo) * yprdinv
		atoms[:,z] = (atoms[:,z] - snap.zlo) * zprdinv
		@@ -502,7 +502,7 @@ class dump:
		h4inv = (h3h5 - h1h4) / (h0h1h2)
		h5inv = xy / (h0*h1)
		atoms = snap.atoms
		if atoms != None:
		if type(atoms) != types.NoneType:
		atoms[:,x] = (atoms[:,x] - snap.xlo)*h0inv + \
		(atoms[:,y] - snap.ylo)*h5inv + \
		(atoms[:,z] - snap.zlo)*h4inv
		@@ -536,7 +536,7 @@ class dump:
		yprd = snap.yhi - snap.ylo
		zprd = snap.zhi - snap.zlo
		atoms = snap.atoms
		if atoms != None:
		if type(atoms) != types.NoneType:
		atoms[:,x] = snap.xlo + atoms[:,x]*xprd
		atoms[:,y] = snap.ylo + atoms[:,y]*yprd
		atoms[:,z] = snap.zlo + atoms[:,z]*zprd
		@@ -560,7 +560,7 @@ class dump:
		h4 = xz
		h5 = xy
		atoms = snap.atoms
		if atoms != None:
		if type(atoms) != types.NoneType:
		atoms[:,x] = snap.xlo + atoms[:,x]h0 + atoms[:,y]h5 + atoms[:,z]*h4
		atoms[:,y] = snap.ylo + atoms[:,y]h1 + atoms[:,z]h3
		atoms[:,z] = snap.zlo + atoms[:,z]*h2