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PlantAI-dev/tools/pymol-open-source/modules/chempy/arc.py
T
2026-08-03 18:42:47 +08:00

38 lines
1.3 KiB
Python

#A* -------------------------------------------------------------------
#B* This file contains source code for the PyMOL computer program
#C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
#D* -------------------------------------------------------------------
#E* It is unlawful to modify or remove this copyright notice.
#F* -------------------------------------------------------------------
#G* Please see the accompanying LICENSE file for further information.
#H* -------------------------------------------------------------------
#I* Additional authors of this source file include:
#-*
#-*
#-*
#Z* -------------------------------------------------------------------
from chempy import Storage,Atom
from chempy.models import Indexed,Connected
import string
import copy
class ARC(Storage):
#---------------------------------------------------------------------------------
def fromFile(self,fname):
list = []
f = open(fname)
while 1:
hdr = f.readline()
if not hdr: break
hdr = hdr[0:6]
if hdr:
lst = []
for b in range(int(hdr)):
a = f.readline()
lst.append([float(a[11:23]),float(a[23:35]),float(a[35:47])])
list.append(lst)
f.close()
return list