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writing column names is optional

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This commit is contained in:
ali
2022-03-10 15:23:21 -06:00
parent 96fbbc2b1b
commit 7343f6e5b8
2 changed files with 20 additions and 13 deletions
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22
tools/python/log2txt.py
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@ -12,23 +12,29 @@
from __future__ import print_function from __future__ import print_function
import sys,os import sys,os,argparse
path = os.environ["LAMMPS_PYTHON_TOOLS"] path = os.environ["LAMMPS_PYTHON_TOOLS"]
sys.path.append(path) sys.path.append(path)
from log import log from log import log
if len(sys.argv) < 3: # set up arg parser
raise Exception("Syntax: log2txt.py log.lammps data.txt X Y ...") parser = argparse.ArgumentParser()
parser.add_argument('lammpslog', help='name of the lammps log file')
parser.add_argument('outname', help='name of the file to be written')
parser.add_argument('cols', nargs='*', help='any number of column names, optional')
parser.add_argument('-n', action='store_true', help='save column names as the header of the file')
logfile = sys.argv[1] args = parser.parse_args()
datafile = sys.argv[2] logfile = args.lammpslog
columns = sys.argv[3:] datafile = args.outname
columns = args.cols
writenames = args.n
lg = log(logfile) lg = log(logfile)
if columns == []: if columns == []:
lg.write(datafile) lg.write(datafile, writenames)
else: else:
str = "lg.write(datafile," str = f"lg.write(datafile, {writenames},"
for word in columns: str += '"' + word + '",' for word in columns: str += '"' + word + '",'
str = str[:-1] + ')' str = str[:-1] + ')'
eval(str) eval(str)

3
tools/python/pizza/log.py
View File

@ -153,7 +153,7 @@ class log:
# -------------------------------------------------------------------- # --------------------------------------------------------------------
def write(self,filename,*keys): def write(self,filename,writenames,*keys):
if len(keys): if len(keys):
colmap = [] colmap = []
for key in keys: for key in keys:
@ -175,6 +175,7 @@ class log:
f = open(filename,"w") f = open(filename,"w")
# write col names from dict in the right order # write col names from dict in the right order
if writenames:
colnames = [k for j in colmap for k,v in self.ptr.items() if v == j] colnames = [k for j in colmap for k,v in self.ptr.items() if v == j]
for j in range(len(colnames)): for j in range(len(colnames)):
print(colnames[j], file=f, end=" ") print(colnames[j], file=f, end=" ")