#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2013-02-20 01:07:16 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);
  
  fh = build_formula_half();
  
  k0 = fm.add_subformula(fh, 0,   0, [0,0]); # Left half
  k1 = fm.add_subformula(fh, 1,   0, [0,0]); # Right half
  
  cv = 2.0;                # Valence of bond from middle C to keto O.
  cb = fh.bond_length(cv); # Relative length of bond from middle C to keto O.

  p3 = [0,0];                                 # Middle carbon.
  p4 = rn.add(p3, rn.scale(cb, [00, -1.0]));  # Keto oxygen.

  k3 = fm.add_atom("C", p3, 0,0);
  k4 = fm.add_atom("O", p4, 0,0);
  
  fm.add_bond(k0+0,k3,1.0);
  fm.add_bond(k1+0,k3,1.0);
  fm.add_bond(k3,k4,cv);
  
  return fm;

def build_formula_half() :
  
  fh = MFormula(style);
 
  Ac = 30;          # Angle of carboxyls with horizontal (degrees).
  Ao = 120;         # Opening angle of oxygens in carboxyls (degrees).
  Ah = Ao/2.0 - Ac; # Bend angle of C-O-H to keep the OH horizontal (degrees).
  
  c30 = cos(30*pi/180);
  s30 = sin(30*pi/180);
  
  av = 1.0;                 # Valence of bond from end C to middle C.
  ab = fh.bond_length(av);  # Relative length of bond from end C to middle C.
  
  # Atom centers:
  p0 = [+c30*ab,+s30*ab];                # Carboxyl carbon.
  
  fg = build_formula_COOH(style, Ao,Ah, 0);
  k0 = fh.add_subformula(fg, 0, Ac, p0);
  
  return fh;
    
fm = build_formula();

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