#! /usr/bin/python -t # _*_ coding: iso-8859-1 _*_ # Last edited on 2013-02-20 00:46:14 by stolfilocal PROG_NAME = __file__[len(__file__)-3] PROG_DESC = "Outputs an SVG 'roadkill' diagram for the right terminator (unbent) of poly-C3O2" PROG_VERS = "1.0" PROG_COPYRIGHT = "Copyright © 2009-07-12 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_poly_carbon_suboxide_terminator, \ build_formula_poly_carbon_suboxide_hemimer, \ build_formula_poly_carbon_suboxide_monomer 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 2009-07-12 by Jorge Stolfi, IC-UNICAMP.\n" \ "\n" \ "MODIFICATION HISTORY\n" \ " 2009-07-12 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() : ft = build_formula_poly_carbon_suboxide_terminator(style,".",0.0,0) fm = MFormula(style); fm.add_subformula(ft, 0, 180, [0,0]); return fm; fm = build_formula(); svg = MFormula_SVG(fm,0); svg.standard_elem_style_1(); # Make sure that the polymer's axis is vertically centered on the image: mext = 2*svg.bondlength + svg.atomradius; svg.molec_min_y = -mext; svg.molec_max_y = +mext; svg.output_figure();