#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2013-02-21 13:56:48 by stolfilocal

PROG_NAME = __file__[len(__file__)-3]
PROG_DESC = "Outputs an SVG 'roadkill' diagram for said molecule"
PROG_VERS = "1.0"

PROG_COPYRIGHT = "Copyright © 2013-02-19 by the State University of Campinas (UNICAMP)"

import sys
import os
import re
import math; from math import sqrt,sin,cos,pi
sys.path[1:0] = [ '.', '..', sys.path[0] + '/../lib', os.path.expandvars('${STOLFIHOME}/lib') ]
# sys.stderr.write(re.sub('[,]', ',\n', "%s: path = %r\n" % (PROG_NAME, sys.path)));
import rn
import mformula; from mformula import MFormula 
import mformula_oxocarbon; from mformula_oxocarbon import build_formula_COOH;
import mformula_svg; from mformula_svg import MFormula_SVG
import mformula_args;
import argparser

PROG_HELP = \
  PROG_NAME + " \\\n" \
  + argparser.help_info_HELP + " \\\n" \
  "    > {FIGURE}.svg"

PROG_INFO = \
  "NAME\n" \
  "  " + PROG_NAME + " - " + PROG_DESC + ".\n" \
  "\n" \
  "DESCRIPTION\n" \
  "  " + PROG_HELP + ".\n" \
  "\n" \
  "DOCUMENTATION OPTIONS\n" \
  + argparser.help_info_INFO + "\n" \
  "\n" \
  "AUTHOR\n" \
  "  Created 2010-02-19 by Jorge Stolfi, IC-UNICAMP.\n" \
  "\n" \
  "MODIFICATION HISTORY\n" \
  "  2010-02-19 by J. Stolfi, IC-UNICAMP: created.\n" \
  "\n" \
  "WARRANTY\n" \
  "  " + argparser.help_info_NO_WARRANTY + "\n" \
  "\n" \
  "RIGHTS\n" \
  "  " + PROG_COPYRIGHT + ".\n" \
  "\n" \
  "  " + argparser.help_info_STANDARD_RIGHTS

style = mformula_args.parse(None); 

def build_formula() :
  
  fm = MFormula(style);
  a130 = 130*pi/180;
  c130 = cos(a130);
  s130 = sin(a130);

  a200 = 200*pi/180;
  c200 = cos(a200);
  s200 = sin(a200);
  
  a270 = 270*pi/180;
  c270 = cos(a270);
  s270 = sin(a270);
  
  occ = fm.bond_length(3.0/2.0); # Relative length of C-C bond.
  och = fm.bond_length(1.0);     # Relative length of C-H (peripheral) bond.
  ocp = fm.bond_length(1.0/2.0); # Relative length of C-H (central) bond.

  p0a = [0,0];                                        # Position of left C.
  p1a = rn.add(p0a, rn.scale(och, [+c130, +s130]));   # Position of top left H.
  p2a = rn.add(p0a, rn.scale(och, [+c200, +s200]));   # Position of mid left H.
  p3a = rn.add(p0a, rn.scale(och, [+c270, +s270]));   # Position of bot left H.

  p0b = rn.add(p0a, [occ,0]);                         # Position of right C.
  p1b = rn.add(p0b, rn.scale(och, [-c130, +s130]));   # Position of top right H.
  p2b = rn.add(p0b, rn.scale(och, [-c200, +s200]));   # Position of mid right H.
  p3b = rn.add(p0b, rn.scale(och, [-c270, +s270]));   # Position of bot left H.
  
  phm = rn.add(p0a, [occ/2, sqrt(ocp*ocp - occ*occ/4)]);  # Position of middle H.

  k0a = fm.add_atom("C", p0a, 1,2);  # Left C.
  k0b = fm.add_atom("C", p0b, 1,2);  # Right C.
  khm = fm.add_atom("H", phm, 0,1);  # Middle H.
  
  k1a = fm.add_atom("H", p1a, 0,1);  # Top left H.
  k2a = fm.add_atom("H", p2a, 0,1);  # Mid left H.
  k3a = fm.add_atom("H", p3a, 0,1);  # Bot left H.
  
  k1b = fm.add_atom("H", p1b, 0,1);  # Top right H.
  k2b = fm.add_atom("H", p2b, 0,1);  # Mid right H.
  k3b = fm.add_atom("H", p3b, 0,1);  # Bot right H.

  if (style == 'S') :
    # Add the "+" symbol in the triangle:
    pq = rn.scale(1.0/3.0, rn.add(phm, rn.add(p0a, p0b)));
    kq = fm.add_atom("+", pq, +1,1);
  
  fm.add_bond(k0a,k0b,1.0); 
  
  fm.add_bond(k0a,k1a,1.0);  
  fm.add_bond(k0a,k2a,1.0);
  fm.add_bond(k0a,k3a,1.0);
  fm.add_bond(k0a,khm,0.5);
  
  fm.add_bond(k0b,k1b,1.0);  
  fm.add_bond(k0b,k2b,1.0);
  fm.add_bond(k0b,k3b,1.0);
  fm.add_bond(k0b,khm,0.5);
  
  return fm;
    
fm = build_formula();

svg = MFormula_SVG(fm,0);
svg.standard_elem_style_1();
svg.output_figure();