#! /usr/bin/python -t 
# _*_ coding: iso-8859-1 _*_
# Last edited on 2009-07-13 13:23:50 by stolfi

PROG_NAME = __file__[len(__file__)-3]
PROG_DESC = "Outputs an SVG 'roadkill' diagram for said molecule"
PROG_VERS = "1.0"

PROG_COPYRIGHT = "Copyright © 2009-07-11 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 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 2009-07-11 by Jorge Stolfi, IC-UNICAMP.\n" \
  "\n" \
  "MODIFICATION HISTORY\n" \
  "  2009-07-11 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

def build_formula() :
  fh = build_formula_half(); # The left half of the molecule.
  
  fm = MFormula();
  k0 = fm.add_subformula(fh, 0, 0, [0,0]); # Left half
  k1 = fm.add_subformula(fh, 1, 0, [0,0]); # Right half
  fm.add_bond(k0+0,k1+0,1.0);
  fm.add_bond(k0+2,k1+2,1.0);
  return fm;

def build_formula_half() :
  "Builds the left half of the molecule, assumed centered at [0,0]."
  
  fh = MFormula();
  
  c45 = cos(45*pi/180);
  s45 = sin(45*pi/180);
  db = fh.bond_length(2.0); # Relative length of double bonds.
  p0 = [-0.5, -0.5];                   # Lower left carbon. 
  p1 = rn.add(p0, [-db*c45, -db*s45]); # Lower left oxygen.
  p2 = rn.add(p0, [00.0, +1.0]);       # Upper left oxygen.
  
  k0 = fh.add_atom("C", p0);
  k1 = fh.add_atom("O", p1);
  k2 = fh.add_atom("O", p2);
  fh.add_bond(k0,k1,2.0);
  fh.add_bond(k0,k2,1.0);
  return fh;
    
fm = build_formula();

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