#! /usr/bin/python3 -t 
# _*_ coding: iso-8859-1 _*_


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 
import mformula_oxocarbon; from mformula_oxocarbon import build_formula_COOH;
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.obj(style);
  a90 = 90*pi/180;
  
  a60 = 60*pi/180;
  c60 = cos(a60);
  s60 = sin(a60);
  
  a120 = 120*pi/180;
  c120 = cos(a120);
  s120 = sin(a120);
  
  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]));
  p3 = rn.add(p0, rn.scale(ob, [+s120, +c120]));
  p4 = rn.add(p0, rn.scale(ob, [-s120, +c120]));
  
  k1 = fm.add_atom("H", p1, 0,0);
  k3 = fm.add_atom("H", p3, 0,0);
  k4 = fm.add_atom("H", p4, 0,0);

  if (style == 'S') :
    # Add the "+" symbols next to the carbon:
    p0q = rn.add(p0, rn.scale(0.65*ob, [00, -1]));
    k0q = fm.add_atom("+", p0q, +1,1);
  
  fm.add_bond(k0,k1,1.0); 
  fm.add_bond(k0,k3,1.0);
  fm.add_bond(k0,k4,1.0);
  fm.add_free_bond(k0,a90+a60,2);
  # fm.add_free_bond(k0,a90-a60,1);
  
  return fm;
    
fm = build_formula();

svg = mformula_svg.obj(fm,0);
svg.standard_elem_style_1();
svg.output_figure();