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