source: util/src/CreateAllVspeShapes.py.in@ 59b70a

#!@PYTHON@
#
# parses elements.db and valence.db and runs CreateVspeShapes.py

import os, sys, math
werr = sys.stderr.write

if len(sys.argv)<2:
  werr("Usage is " + sys.argv[0] + " <DIR to .db's>\n")
  sys.exit(1)

dbdir=sys.argv[1]

# parse databases
elements=open(dbdir+"/elements.db", "r")
valence=open(dbdir+"/valence.db", "r")

# create empty array
ElementsLookup=[]
for nr in range(128):
  ElementsLookup.append( [0,0] )

nr=0
for line in elements:
  if "#" in line:
    continue
  else:
    values = line.split()
    #print "Setting entry "+str(nr)+",0 to "+values[1]+"."
    ElementsLookup[nr][0] = values[1]
    nr=nr+1

for line in valence:
  if "#" in line:
    continue
  else:
    values = line.split()
    ElementsLookup[int(values[0])-1][1] = float(values[1])

elements.close()
valence.close()

# loop through all and call ShapeCreator
#for j in range(len(ElementsLookup)):
for j in range(0,80):
  print str(ElementsLookup[j][0])+"\t"+str(ElementsLookup[j][1])
  os.system("python CreateVspeShapes.py "+str(ElementsLookup[j][0])+" "+str(int((ElementsLookup[j][1]))))