#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2013-02-20 00:37:17 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 © 2009-07-15 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
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 2009-07-15 by Jorge Stolfi, IC-UNICAMP.\n" \
  "\n" \
  "MODIFICATION HISTORY\n" \
  "  2009-07-15 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() :
  "Builds the molecule's diagram.\n" \
  "\n" \
  "  Assumes that the cycle is an equilateral triangle" \
  " centered at [0,0]."

  # Build the left half {fh} of the molecule, minus the bridging oxygen:
  # The carbon is atom zero of {fh}.
  fh = MFormula(style);
  
  c30 = cos(30*pi/180);
  s30 = sin(30*pi/180);

  sb = fh.bond_length(1.0); # Relative length of single bonds.
  db = fh.bond_length(2.0); # Relative length of double bonds.
  R = sb/2/c30;             # Radius of cycle.
  
  p0 = rn.scale(R, [-c30, -s30]);              # Lower left carbon. 
  p1 = rn.add(p0, rn.scale(db, [-c30, -s30])); # Lower left (carbonyl) oxygen.
  
  k0 = fh.add_atom("C", p0, 0,0);
  k1 = fh.add_atom("O", p1, 0,0);
  fh.add_bond(k0,k1,2.0);

  # Take two copies of {fh} and add the epoxy O:
  fm = MFormula(style);
  i0 = fm.add_subformula(fh, 0,   0, [0,0]); # Left half
  i1 = fm.add_subformula(fh, 1,   0, [0,0]); # Right half
  p3 = [ 0, +R ];   # Top (epoxide) oxygen.
  k3 = fm.add_atom("O", p3, 0,0);
  fm.add_bond(i0+0,i1+0,1.0);
  fm.add_bond(i0+0,k3,1.0);
  fm.add_bond(i1+0,k3,1.0);
  return fm;
    
fm = build_formula();

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