#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,string,re,math,numpy,random from optparse import OptionParser, OptionGroup, Option, SUPPRESS_HELP scriptID = '$Id$' scriptName = scriptID.split()[1] #------------------------------------------------------------------------------------------------ class extendedOption(Option): #------------------------------------------------------------------------------------------------ # used for definition of new option parser action 'extend', which enables to take multiple option arguments # taken from online tutorial http://docs.python.org/library/optparse.html ACTIONS = Option.ACTIONS + ("extend",) STORE_ACTIONS = Option.STORE_ACTIONS + ("extend",) TYPED_ACTIONS = Option.TYPED_ACTIONS + ("extend",) ALWAYS_TYPED_ACTIONS = Option.ALWAYS_TYPED_ACTIONS + ("extend",) def take_action(self, action, dest, opt, value, values, parser): if action == "extend": lvalue = value.split(",") values.ensure_value(dest, []).extend(lvalue) else: Option.take_action(self, action, dest, opt, value, values, parser) #-------------------------------------------------------------------------------------------------- # MAIN #-------------------------------------------------------------------------------------------------- identifiers = { 'grid': ['a','b','c'], } mappings = { 'grid': lambda x: int(x), } parser = OptionParser(option_class=extendedOption, usage='%prog [options]', description = """ Distribute given number of points randomly within the three-dimensional cube [0.0,0.0,0.0]--[1.0,1.0,1.0]. Reports positions with random crystal orientations in seeds file format to STDOUT. """ + string.replace(scriptID,'\n','\\n') ) parser.add_option('-N', dest='N', type='int', \ help='number of seed points to distribute [%default]') parser.add_option('-g','--grid', dest='grid', type='int', nargs=3, \ help='min a,b,c grid of hexahedral box %default') parser.add_option('-r', '--rnd', dest='randomSeed', type='int', \ help='seed of random number generator [%default]') parser.set_defaults(randomSeed = 0) parser.set_defaults(grid = [16,16,16]) parser.set_defaults(N = 20) (options, extras) = parser.parse_args() Npoints = reduce(lambda x, y: x * y, options.grid) if 0 in options.grid: file['croak'].write('invalid grid a b c.\n') sys.exit() if options.N > Npoints: sys.stderr.write('Warning: more seeds than grid points at minimum resolution.\n') options.N = Npoints seeds = numpy.zeros((3,options.N),float) numpy.random.seed(options.randomSeed) grainEuler = numpy.random.rand(3,options.N) grainEuler[0,:] *= 360.0 grainEuler[1,:] = numpy.arccos(2*grainEuler[1,:]-1)*180.0/math.pi grainEuler[2,:] *= 360.0 seedpoint = numpy.random.permutation(Npoints)[:options.N] seeds[0,:]=(numpy.mod(seedpoint ,options.grid[0])\ +numpy.random.random())/options.grid[0] seeds[1,:]=(numpy.mod(seedpoint// options.grid[0],options.grid[1])\ +numpy.random.random())/options.grid[1] seeds[2,:]=(numpy.mod(seedpoint//(options.grid[1]*options.grid[0]),options.grid[2])\ +numpy.random.random())/options.grid[2] print "5\theader" print scriptID print "grid\ta %i\tb %i\tc %i"%(options.grid[0],options.grid[1],options.grid[2],) print "microstructures\t%i"%options.N print "randomSeed\t%i"%(options.randomSeed) print "x\ty\tz\tphi1\tPhi\tphi2" numpy.savetxt(sys.stdout,numpy.transpose(numpy.concatenate((seeds,grainEuler),axis = 0)),fmt='%10.6f',delimiter='\t')