#!@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] + "
\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]))))