def save(self, args):
# save new coordinates
format_output_file = os.path.splitext(args.output_file[0])[1]
struct_file_writer = writer.open(format_output_file, pattern=args.struct_file[0])
struct_file_writer.write(self.new_coords, args.output_file[0])
# save wfile
wfile_writer = writer.open('.w')
wfile_writer.write(self.new_weights, args.wfile)
def save(self, args):
# save new coordinates
format_output_file = os.path.splitext(args.output_file[0])[1]
struct_file_writer = writer.open(format_output_file,
pattern=args.struct_file[0])
struct_file_writer.write(self.new_coords, args.output_file[0])
# save wfile
wfile_writer = writer.open('.w')
wfile_writer.write(self.new_weights, args.wfileout)
def save(self, args):
# save new coordinates
struct_file_writer = open(args.output_file[0], "w")
for s in self.new_coords:
struct_file_writer.write(s)
struct_file_writer.close()
# save wfile
wfile_writer = writer.open(".w")
wfile_writer.write(self.new_weights, args.wfile)