#!@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]))))