import sys
from Molecule import Molecule
from Molecule import MoleculeRep
from Molecule import isosurfaceStyle
from Molecule import licoriceStyle
import render
import color
import molecule

for id in molecule.listall(): molecule.delete(id)

filename='m0c1211s2ss1i90diff.cube'
positive=MoleculeRep(style=isosurfaceStyle(0.001,0,0,0),color='Molecule',material='Transparent')
negative=MoleculeRep(style=isosurfaceStyle(-0.001,0,0,0),color='Molecule',material='Transparent')
molframe=MoleculeRep(style=licoriceStyle(0.1,300,300),material='Opaque')
mol1=Molecule()
mol2=Molecule()
mol3=Molecule()
mol1.load(filename)
mol2.load(filename)
mol3.load(filename)
mol1.clearReps()
mol2.clearReps()
mol3.clearReps()
color.set_colormap('Molecule',{str(int(mol1)):'blue',str(int(mol2)):'red'})
mol1.addRep(negative)
mol2.addRep(positive)
mol3.addRep(molframe)
## picturename=filename[:-5]+'.tga'
## render.render(snapshot,picturename)
## mol1.delete()
## mol2.delete()
## mol3.delete()