#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2013-02-20 01:06:41 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 © 2010-02-19 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);
  
  fs = build_formula_sixth();
  k0 = fm.add_subformula(fs, 0,   0, [0,0]);
  k1 = fm.add_subformula(fs, 0,  60, [0,0]);
  k2 = fm.add_subformula(fs, 0, 120, [0,0]);
  k3 = fm.add_subformula(fs, 0, 180, [0,0]);
  k4 = fm.add_subformula(fs, 0, 240, [0,0]);
  k5 = fm.add_subformula(fs, 0, 300, [0,0]);
  fm.add_bond(k0+0,k1+0,1.5);
  fm.add_bond(k1+0,k2+0,1.5);
  fm.add_bond(k2+0,k3+0,1.5);
  fm.add_bond(k3+0,k4+0,1.5);
  fm.add_bond(k4+0,k5+0,1.5);
  fm.add_bond(k5+0,k0+0,1.5);
  return fm;

def build_formula_sixth() :
  "Builds 1/6 of the molecule (one carbon and one carboxyl) pointing horizontally."

  fs = MFormula(style);

  Ac = 0;           # Angle of carboxyl with horizontal (degrees).
  Ao = 90;          # Opening angle of oxygens in carboxyl (degrees).
  Ah = Ao/2.0 - Ac; # Bend angle of C-O-H to keep the OH horizontal (degrees).
  
  cb = fs.bond_length(1.5); # Length of aromatic bonds.
  ub = fs.bond_length(2.0); # Relative length of single bonds.
  
  # Assume that the benzene ring stays hexagonal:
  R = cb;                    # Radius of benzene ring.
  c30 = cos(30*pi/180);
  s30 = sin(30*pi/180);
  
  p0 = [+1*R, 00*R];                        # A carbon of benzene. 
  p1 = rn.add(p0, rn.scale(ub, [+1, 00]));  # Carbon of carboxyl
  
  k0 = fs.add_atom("C", p0, 0,0);

  fg = build_formula_COOH(style, Ao,Ah, 0);
  k1 = fs.add_subformula(fg, 0, Ac, p1);

  fs.add_bond(k0,k1,1.0);
  return fs;
    
fm = build_formula();

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