#
#  Copyright (C) 2003  Rational Discovery LLC
#   All Rights Reserved
#
from rdkit import RDConfig
import sys,os,tempfile
from PIL import Image

def SmilesToGif(smiles,fileNames,size=(200,200),cmd=None,dblSize=0,frame=0):
  if isinstance(smiles,basestring):
    smiles = [smiles]
    fileNames = [fileNames]
  if cmd is None:
    cmd = os.path.join('/usr','local','bin','csts')
  baseCmd = cmd
  assert len(smiles)==len(fileNames)
  width = size[0]
  height = size[1]
  args = ""
  nDone = 0
  while nDone<len(smiles):
    smi = smiles[nDone]
    name = fileNames[nDone]
    if not dblSize:
      args += "ens get [ens create {%(smi)s}] E_GIF {} {width %(width)d height %(height)d bgcolor white filename %(name)s format gif frame %(frame)d};"%locals()
    else:
      args += "ens get [ens create {%(smi)s}] E_GIF {} {width %(width)d height %(height)d bgcolor white filename %(name)s format gif symbolfontsize 24 frame %(frame)d linewidth 2.8 linespacing 4.0};"%locals()
    nDone += 1
  if args:
    fN = tempfile.mktemp('.cmd')
    open(fN,'w+').write(args+'\n')
    try:
      cmd = "%s < %s"%(baseCmd,fN)
      os.system(cmd)
    except:
      import traceback
      traceback.print_exc()
      sys.stderr.write('CMD: %s\n'%cmd)
      res = 0
    else:
      res = 1
      for name in fileNames:
        if not os.path.exists(name):
          res = 0
          break
    try:
      os.unlink(fN)
    except:
      pass
  return res  


def SmilesToImage(smiles,**kwargs):
  tempFilename = tempfile.mktemp('.gif')
  ok = SmilesToGif(smiles,tempFilename,**kwargs)
  if ok:
    img = Image.open(tempFilename)
    os.unlink(tempFilename)
  else:
    img = None
  return img