#! /usr/bin/env python
import sys,colorsys

def get_color(x,gradient='white-red',outside_color=(0.5,0.5,0.5)):
# x = 1 == (good match) , x = 0 == (bad match), x = -1 == too far away
#  if x == -999:
  if x <= -1:
    color_value = outside_color
  else:
    x = max(0.,x)
    if gradient == 'white-red':
      color_value = colorsys.hsv_to_rgb(0.,1-x,1.)
    elif gradient == 'blue-red':
      color_value = colorsys.hsv_to_rgb(colorsys.TWO_THIRD - colorsys.TWO_THIRD * (1-x),1.,1.)
    elif gradient == 'blue-white-red':
      color_value = (min(1.,2*(1-x)),min(2*x,2*(1-x)),min(1.,2*x))

#    if not color_value: print x
  return color_value

def msms_obj(vert_name,face_name,gradient,outside_color):
#infile = sys.stdin
  vert_name = vert_name.replace('.vert','')
  vert_infile = open(vert_name + '.vert')
# strip off header lines
  vert_line1 = vert_infile.readline()
  vert_line2 = vert_infile.readline()
  vert_line3 = vert_infile.readline()

# Vertices file contains:
# vert1,vert2,vert3,norm1,norm2,norm3,face_num,sphere_num,toric_flag,atom_ID
  vertices = []
  for line in vert_infile.readlines():
    data = line.strip().split()
    vertex = [float(x) for x in data[0:3]]
    normal = [float(x) for x in data[3:6]]
    face_number = int(data[6])
    sphere_index = int(data[7])
    toric_flag = int(data[8])
    atom_name = data[9]
    dist = float(data[10])
    sim = float(data[11])
    vertices.append((vertex,normal,face_number,sphere_index,toric_flag,atom_name,dist,sim))

  face_name = face_name.replace('.face','')
  face_infile = open(face_name + '.face')
# strip off header lines
  face_line1 = face_infile.readline()
  face_line2 = face_infile.readline()
  face_line3 = face_infile.readline()

# Face file contains triangles composed of vertices (1-based index):
# vert_index1,vert_index2,vert_index3,toric_flag,face_num(of analytical surf)
  faces = []
  for line in face_infile.readlines():
    data = [int(x) for x in line.strip().split()]
    faces.append(data)


  msms_obj = []
  msms_obj.extend([BEGIN,TRIANGLES])

  for face in faces:
# add 3 vertex coordinates
# need to subtract one from face[0] to get index into vertices array
    msms_obj.extend([VERTEX])
    msms_obj.extend(vertices[face[0]-1][0])
    msms_obj.extend([NORMAL])
    msms_obj.extend(vertices[face[0]-1][1])
    color = get_color(vertices[face[0]-1][7],gradient,outside_color)
    msms_obj.extend([COLOR])
    msms_obj.extend(color)

    msms_obj.extend([VERTEX])
    msms_obj.extend(vertices[face[1]-1][0])
    msms_obj.extend([NORMAL])
    msms_obj.extend(vertices[face[1]-1][1])
    color = get_color(vertices[face[1]-1][7],gradient,outside_color)
    msms_obj.extend([COLOR])
    msms_obj.extend(color)

    msms_obj.extend([VERTEX])
    msms_obj.extend(vertices[face[2]-1][0])
    msms_obj.extend([NORMAL])
    msms_obj.extend(vertices[face[2]-1][1])
    color = get_color(vertices[face[2]-1][7],gradient,outside_color)
    msms_obj.extend([COLOR])
    msms_obj.extend(color)
  msms_obj.extend([END])
  return msms_obj

# if running as a standalone program
if __name__ == '__main__':
  vert_name = sys.argv[1]
  face_name = sys.argv[2]

# figure out a way to easily pass in these values for running
# without pymol
  BEGIN='BEGIN'
  TRIANGLES='TRIANGLES'
  VERTEX='VERTEX'
  NORMAL='NORMAL'
  COLOR='COLOR'
  END='END'

  msms_obj = msms_obj(vert_name,face_name)
  color = [float(x) for x in color]
  print msms_obj[0],msms_obj[1]
  for i in range(2,len(msms_obj)-1,12):
    for j in range(0,11):
      print msms_obj[i+j],
    print msms_obj[i+11]
  print msms_obj[-1]

# if not calling directly, then extend the def for use in PyMOL
else:
  from pymol.cgo import *    # get constants
  from pymol import cmd

  def msms_sim_draw(vert_name,face_name,obj_name='',gradient='white-red',outside_color='grey'):
    """
    msms_draw vert_name, face_name, [obj_name ] , gradient
        default gradient is white-red, others are blue-white-red and blue-red
    """
    if '(' in outside_color:
      print "Using outside_color as tuple:", outside_color.replace('(','').replace(')','').split(',')
      outside_color_tuple = map(float, outside_color.replace('(','').replace(')','').split(','))
    else:
      outside_color_tuple = cmd.get_color_tuple(outside_color)

  #  print outside_color_tuple
    msms_cgo = msms_obj(vert_name,face_name,gradient,outside_color_tuple)
    if obj_name == '':
      obj_name = vert_name + 'msms'
    cmd.load_cgo(msms_cgo,obj_name)

  cmd.extend('msms_sim_draw',msms_sim_draw)