#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2013-02-20 00:58:29 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 © 2010-02-15 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_COO_1neg;
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 2010-02-15 by Jorge Stolfi, IC-UNICAMP.\n" \
  "\n" \
  "MODIFICATION HISTORY\n" \
  "  2010-02-15 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, 0, 180, [0,0]); # Right half
  fm.add_bond(k0+0,k1+0,1.0);
  
  return fm;

def build_formula_half() :
  
  fh = MFormula(style);
  c30 = cos(30*pi/180);
  s30 = sin(30*pi/180);
  
  ub = fh.bond_length(1.0);  # Relative length of bond between middle Cs.
  
  ab = fh.bond_length(1.0);  # Relative length of bond from middle C to end C.
  
  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.
  
  # Atom centers:
  p0 = rn.scale(ub, [+0.5*c30, -0.5*s30]);       # Middle carbon.
  p1 = rn.add(p0, rn.scale(ab, [+c30, +s30]));   # End carbon.
  p2 = rn.add(p0, rn.scale(cb, [00, -1]));       # Keto oxygen.
  
  k0 = fh.add_atom("C", p0, 0,0);
  
  fg = build_formula_COO_1neg(style,120);
  k1 = fh.add_subformula(fg, 0, 30, p1);

  k2 = fh.add_atom("O", p2, 0,0);
  
  fh.add_bond(k0,k1,1.0);
  fh.add_bond(k0,k2,cv);
  
  return fh;
    
fm = build_formula();

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