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Added the possibility of reading compressed vasprun.xml files. #130

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Added the possibility of reading compressed vasprun.xml files. #130

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12 changes: 11 additions & 1 deletion dpdata/vasp/xml.py
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Original file line number Diff line number Diff line change
Expand Up @@ -75,14 +75,24 @@ def analyze (fname, type_idx_zero = False, begin = 0, step = 1) :
"""
can deal with broken xml file
"""

import os, bz2, gzip
fh = fname
if(isinstance(fname, str)):
fext = os.path.splitext(fname)[1]
if(fext == ".bz2"):
fh = bz2.open(fname, "r")
elif(fext == ".gz"):
fh = gzip.open(fname, "r")

all_posi = []
all_cell = []
all_ener = []
all_forc = []
all_strs = []
cc = 0
try:
for event, elem in ET.iterparse(fname):
for event, elem in ET.iterparse(fh):
if elem.tag == 'atominfo' :
eles, types = analyze_atominfo(elem)
types = np.array(types, dtype = int)
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