#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2013-02-21 03:00:06 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);
  c72 = cos(72*pi/180);
  s72 = sin(72*pi/180);
  c144 = cos(144*pi/180);
  s144 = sin(144*pi/180);
  
  ob = fm.bond_length(1.0); # Relative length of C-H bond.

  p0 = [0,0];
  k0 = fm.add_atom("C", [0,0], 1,1);
  
  p1 = rn.add(p0, rn.scale(ob, [00, +1]));
  p2 = rn.add(p0, rn.scale(ob, [+s72, +c72]));
  p3 = rn.add(p0, rn.scale(ob, [+s144, +c144]));
  p4 = rn.add(p0, rn.scale(ob, [-s144, +c144]));
  p5 = rn.add(p0, rn.scale(ob, [-s72, +c72]));
  
  k1 = fm.add_atom("H", p1, 0,0);
  k2 = fm.add_atom("H", p2, 0,0);
  k3 = fm.add_atom("H", p3, 0,0);
  k4 = fm.add_atom("H", p4, 0,0);
  k5 = fm.add_atom("H", p5, 0,0);

  if (style == 'S') :
    # Add the "+" symbols next to the carbon:
    p0q = rn.add(p0, rn.scale(0.50*ob, [00, -1]));
    k0q = fm.add_atom("+", p0q, +1,1);
  
  fm.add_bond(k0,k1,1.0);  
  fm.add_bond(k0,k2,1.0); 
  fm.add_bond(k0,k3,1.0);
  fm.add_bond(k0,k4,1.0);
  fm.add_bond(k0,k5,1.0);
  
  return fm;
    
fm = build_formula();

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